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Compile Data Set for Download or QSAR

Found 57 hits of ec50 data for polymerid = 50004641   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332697
PNG
(CHEMBL1630198)
Show SMILES CCCCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C126H222N32O35/c1-17-19-21-23-25-38-77(139-116(184)87(49-54-101(168)169)149-123(191)94(67-102(170)171)155-121(189)92(65-72(11)12)156-125(193)103(73(13)14)157-124(192)95-44-36-60-158(95)75(16)159)107(175)143-82(43-35-59-136-126(134)135)109(177)146-85(47-52-99(164)165)114(182)142-81(42-30-34-58-130)112(180)153-91(64-71(9)10)120(188)154-93(66-97(132)161)122(190)148-86(48-53-100(166)167)115(183)140-78(39-26-24-22-20-18-2)110(178)152-90(63-70(7)8)119(187)147-84(46-51-98(162)163)106(174)137-74(15)105(173)150-88(61-68(3)4)118(186)144-79(40-28-32-56-128)108(176)145-83(45-50-96(131)160)113(181)141-80(41-29-33-57-129)111(179)151-89(62-69(5)6)117(185)138-76(104(133)172)37-27-31-55-127/h68-74,76-95,103H,17-67,127-130H2,1-16H3,(H2,131,160)(H2,132,161)(H2,133,172)(H,137,174)(H,138,185)(H,139,184)(H,140,183)(H,141,181)(H,142,182)(H,143,175)(H,144,186)(H,145,176)(H,146,177)(H,147,187)(H,148,190)(H,149,191)(H,150,173)(H,151,179)(H,152,178)(H,153,180)(H,154,188)(H,155,189)(H,156,193)(H,157,192)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,134,135,136)/t74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332698
PNG
(CHEMBL1630199)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C128H222N32O35/c1-17-19-21-23-25-27-40-79(141-118(186)89(51-56-103(170)171)151-125(193)96(69-104(172)173)157-123(191)94(67-74(11)12)158-127(195)105(75(13)14)159-126(194)97-46-38-62-160(97)77(16)161)109(177)145-84(45-37-61-138-128(136)137)111(179)148-87(49-54-101(166)167)116(184)144-83(44-32-36-60-132)114(182)155-93(66-73(9)10)122(190)156-95(68-99(134)163)124(192)150-88(50-55-102(168)169)117(185)142-80(41-28-26-24-22-20-18-2)112(180)154-92(65-72(7)8)121(189)149-86(48-53-100(164)165)108(176)139-76(15)107(175)152-90(63-70(3)4)120(188)146-81(42-30-34-58-130)110(178)147-85(47-52-98(133)162)115(183)143-82(43-31-35-59-131)113(181)153-91(64-71(5)6)119(187)140-78(106(135)174)39-29-33-57-129/h17-18,70-76,78-97,105H,1-2,19-69,129-132H2,3-16H3,(H2,133,162)(H2,134,163)(H2,135,174)(H,139,176)(H,140,187)(H,141,186)(H,142,185)(H,143,183)(H,144,184)(H,145,177)(H,146,188)(H,147,178)(H,148,179)(H,149,189)(H,150,192)(H,151,193)(H,152,175)(H,153,181)(H,154,180)(H,155,182)(H,156,190)(H,157,191)(H,158,195)(H,159,194)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H4,136,137,138)/t76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332695
PNG
(CHEMBL1630196)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C126H218N32O35/c1-17-19-21-23-25-38-77(139-116(184)87(49-54-101(168)169)149-123(191)94(67-102(170)171)155-121(189)92(65-72(11)12)156-125(193)103(73(13)14)157-124(192)95-44-36-60-158(95)75(16)159)107(175)143-82(43-35-59-136-126(134)135)109(177)146-85(47-52-99(164)165)114(182)142-81(42-30-34-58-130)112(180)153-91(64-71(9)10)120(188)154-93(66-97(132)161)122(190)148-86(48-53-100(166)167)115(183)140-78(39-26-24-22-20-18-2)110(178)152-90(63-70(7)8)119(187)147-84(46-51-98(162)163)106(174)137-74(15)105(173)150-88(61-68(3)4)118(186)144-79(40-28-32-56-128)108(176)145-83(45-50-96(131)160)113(181)141-80(41-29-33-57-129)111(179)151-89(62-69(5)6)117(185)138-76(104(133)172)37-27-31-55-127/h17-18,68-74,76-95,103H,1-2,19-67,127-130H2,3-16H3,(H2,131,160)(H2,132,161)(H2,133,172)(H,137,174)(H,138,185)(H,139,184)(H,140,183)(H,141,181)(H,142,182)(H,143,175)(H,144,186)(H,145,176)(H,146,177)(H,147,187)(H,148,190)(H,149,191)(H,150,173)(H,151,179)(H,152,178)(H,153,180)(H,154,188)(H,155,189)(H,156,193)(H,157,192)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,134,135,136)/t74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332694
PNG
(CHEMBL1630195)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C130H218N32O35/c1-15-17-19-21-26-41-81(113(181)156-94(66-74(7)8)123(191)150-88(49-54-103(166)167)110(178)141-77(13)109(177)154-92(64-72(3)4)122(190)146-82(43-29-33-59-132)111(179)148-87(48-53-101(135)164)117(185)144-83(44-30-34-60-133)114(182)155-93(65-73(5)6)121(189)142-80(108(137)176)40-28-32-58-131)143-119(187)90(51-56-105(170)171)151-127(195)98(70-102(136)165)160-124(192)95(67-75(9)10)157-115(183)84(45-31-35-61-134)145-118(186)89(50-55-104(168)169)149-112(180)86(46-36-62-140-130(138)139)147-126(194)97(69-79-38-24-23-25-39-79)159-120(188)91(52-57-106(172)173)152-128(196)99(71-107(174)175)161-125(193)96(68-76(11)12)158-116(184)85(42-27-22-20-18-16-2)153-129(197)100-47-37-63-162(100)78(14)163/h15-16,23-25,38-39,72-77,80-100H,1-2,17-22,26-37,40-71,131-134H2,3-14H3,(H2,135,164)(H2,136,165)(H2,137,176)(H,141,178)(H,142,189)(H,143,187)(H,144,185)(H,145,186)(H,146,190)(H,147,194)(H,148,179)(H,149,180)(H,150,191)(H,151,195)(H,152,196)(H,153,197)(H,154,177)(H,155,182)(H,156,181)(H,157,183)(H,158,184)(H,159,188)(H,160,192)(H,161,193)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H4,138,139,140)/t77-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332699
PNG
(CHEMBL1630200)
Show SMILES CCCCCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCCCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C128H226N32O35/c1-17-19-21-23-25-27-40-79(141-118(186)89(51-56-103(170)171)151-125(193)96(69-104(172)173)157-123(191)94(67-74(11)12)158-127(195)105(75(13)14)159-126(194)97-46-38-62-160(97)77(16)161)109(177)145-84(45-37-61-138-128(136)137)111(179)148-87(49-54-101(166)167)116(184)144-83(44-32-36-60-132)114(182)155-93(66-73(9)10)122(190)156-95(68-99(134)163)124(192)150-88(50-55-102(168)169)117(185)142-80(41-28-26-24-22-20-18-2)112(180)154-92(65-72(7)8)121(189)149-86(48-53-100(164)165)108(176)139-76(15)107(175)152-90(63-70(3)4)120(188)146-81(42-30-34-58-130)110(178)147-85(47-52-98(133)162)115(183)143-82(43-31-35-59-131)113(181)153-91(64-71(5)6)119(187)140-78(106(135)174)39-29-33-57-129/h70-76,78-97,105H,17-69,129-132H2,1-16H3,(H2,133,162)(H2,134,163)(H2,135,174)(H,139,176)(H,140,187)(H,141,186)(H,142,185)(H,143,183)(H,144,184)(H,145,177)(H,146,188)(H,147,178)(H,148,179)(H,149,189)(H,150,192)(H,151,193)(H,152,175)(H,153,181)(H,154,180)(H,155,182)(H,156,190)(H,157,191)(H,158,195)(H,159,194)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H4,136,137,138)/t76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 600n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332690
PNG
(CHEMBL1630191)
Show SMILES CCCCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C126H214N32O35/c1-16-17-18-19-23-37-77(109(177)151-89(61-69(6)7)118(186)146-83(44-49-98(162)163)106(174)137-73(14)105(173)149-87(59-67(2)3)117(185)142-78(38-25-29-54-128)107(175)144-82(43-48-96(131)160)112(180)140-79(39-26-30-55-129)110(178)150-88(60-68(4)5)116(184)138-76(104(133)172)36-24-28-53-127)139-114(182)85(46-51-100(166)167)147-122(190)93(65-97(132)161)154-119(187)90(62-70(8)9)152-111(179)80(40-27-31-56-130)141-113(181)84(45-50-99(164)165)145-108(176)81(41-32-57-136-126(134)135)143-121(189)92(64-75-34-21-20-22-35-75)153-115(183)86(47-52-101(168)169)148-123(191)94(66-102(170)171)155-120(188)91(63-71(10)11)156-125(193)103(72(12)13)157-124(192)95-42-33-58-158(95)74(15)159/h20-22,34-35,67-73,76-95,103H,16-19,23-33,36-66,127-130H2,1-15H3,(H2,131,160)(H2,132,161)(H2,133,172)(H,137,174)(H,138,184)(H,139,182)(H,140,180)(H,141,181)(H,142,185)(H,143,189)(H,144,175)(H,145,176)(H,146,186)(H,147,190)(H,148,191)(H,149,173)(H,150,178)(H,151,177)(H,152,179)(H,153,183)(H,154,187)(H,155,188)(H,156,193)(H,157,192)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,134,135,136)/t73-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332692
PNG
(CHEMBL1630193)
Show SMILES CCCCCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C127H216N32O35/c1-16-17-18-19-20-24-38-78(110(178)152-90(62-70(6)7)119(187)147-84(45-50-99(163)164)107(175)138-74(14)106(174)150-88(60-68(2)3)118(186)143-79(39-26-30-55-129)108(176)145-83(44-49-97(132)161)113(181)141-80(40-27-31-56-130)111(179)151-89(61-69(4)5)117(185)139-77(105(134)173)37-25-29-54-128)140-115(183)86(47-52-101(167)168)148-123(191)94(66-98(133)162)155-120(188)91(63-71(8)9)153-112(180)81(41-28-32-57-131)142-114(182)85(46-51-100(165)166)146-109(177)82(42-33-58-137-127(135)136)144-122(190)93(65-76-35-22-21-23-36-76)154-116(184)87(48-53-102(169)170)149-124(192)95(67-103(171)172)156-121(189)92(64-72(10)11)157-126(194)104(73(12)13)158-125(193)96-43-34-59-159(96)75(15)160/h21-23,35-36,68-74,77-96,104H,16-20,24-34,37-67,128-131H2,1-15H3,(H2,132,161)(H2,133,162)(H2,134,173)(H,138,175)(H,139,185)(H,140,183)(H,141,181)(H,142,182)(H,143,186)(H,144,190)(H,145,176)(H,146,177)(H,147,187)(H,148,191)(H,149,192)(H,150,174)(H,151,179)(H,152,178)(H,153,180)(H,154,184)(H,155,188)(H,156,189)(H,157,194)(H,158,193)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,135,136,137)/t74-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,104-/m0/s1
PDB

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UniChem

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Article
PubMed
n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332691
PNG
(CHEMBL1630192)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C127H214N32O35/c1-16-17-18-19-20-24-38-78(110(178)152-90(62-70(6)7)119(187)147-84(45-50-99(163)164)107(175)138-74(14)106(174)150-88(60-68(2)3)118(186)143-79(39-26-30-55-129)108(176)145-83(44-49-97(132)161)113(181)141-80(40-27-31-56-130)111(179)151-89(61-69(4)5)117(185)139-77(105(134)173)37-25-29-54-128)140-115(183)86(47-52-101(167)168)148-123(191)94(66-98(133)162)155-120(188)91(63-71(8)9)153-112(180)81(41-28-32-57-131)142-114(182)85(46-51-100(165)166)146-109(177)82(42-33-58-137-127(135)136)144-122(190)93(65-76-35-22-21-23-36-76)154-116(184)87(48-53-102(169)170)149-124(192)95(67-103(171)172)156-121(189)92(64-72(10)11)157-126(194)104(73(12)13)158-125(193)96-43-34-59-159(96)75(15)160/h16,21-23,35-36,68-74,77-96,104H,1,17-20,24-34,37-67,128-131H2,2-15H3,(H2,132,161)(H2,133,162)(H2,134,173)(H,138,175)(H,139,185)(H,140,183)(H,141,181)(H,142,182)(H,143,186)(H,144,190)(H,145,176)(H,146,177)(H,147,187)(H,148,191)(H,149,192)(H,150,174)(H,151,179)(H,152,178)(H,153,180)(H,154,184)(H,155,188)(H,156,189)(H,157,194)(H,158,193)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,135,136,137)/t74-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,104-/m0/s1
PDB

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PubMed
n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332693
PNG
(CHEMBL1630194)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H216N32O35/c1-17-19-21-23-25-38-77(109(177)151-89(62-69(7)8)118(186)146-83(45-50-97(161)162)105(173)136-73(15)104(172)149-87(60-67(3)4)117(185)143-78(39-27-31-55-127)107(175)144-82(44-49-95(130)159)112(180)140-79(40-28-32-56-128)110(178)150-88(61-68(5)6)116(184)137-75(103(132)171)36-26-30-54-126)139-114(182)85(47-52-99(165)166)147-121(189)92(65-96(131)160)153-119(187)90(63-70(9)10)152-111(179)80(41-29-33-57-129)141-113(181)84(46-51-98(163)164)145-108(176)81(42-34-58-135-125(133)134)142-106(174)76(37-24-22-20-18-2)138-115(183)86(48-53-100(167)168)148-122(190)93(66-101(169)170)154-120(188)91(64-71(11)12)155-124(192)102(72(13)14)156-123(191)94-43-35-59-157(94)74(16)158/h17-18,67-73,75-94,102H,1-2,19-66,126-129H2,3-16H3,(H2,130,159)(H2,131,160)(H2,132,171)(H,136,173)(H,137,184)(H,138,183)(H,139,182)(H,140,180)(H,141,181)(H,142,174)(H,143,185)(H,144,175)(H,145,176)(H,146,186)(H,147,189)(H,148,190)(H,149,172)(H,150,178)(H,151,177)(H,152,179)(H,153,187)(H,154,188)(H,155,192)(H,156,191)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,133,134,135)/t73-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332696
PNG
(CHEMBL1630197)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C129H215N31O35/c1-17-19-21-23-28-41-80(112(179)152-91(63-71(5)6)119(186)140-79(107(135)174)40-30-33-57-130)141-115(182)85(47-52-99(133)162)146-110(177)82(43-31-34-58-131)144-120(187)90(62-70(3)4)151-108(175)76(15)139-109(176)86(48-53-101(164)165)148-121(188)92(64-72(7)8)153-113(180)81(42-29-24-22-20-18-2)142-117(184)88(50-55-103(168)169)149-125(192)96(68-100(134)163)156-122(189)93(65-73(9)10)154-114(181)83(44-32-35-59-132)143-116(183)87(49-54-102(166)167)147-111(178)84(45-36-60-138-129(136)137)145-124(191)95(67-78-38-26-25-27-39-78)155-118(185)89(51-56-104(170)171)150-126(193)97(69-105(172)173)157-123(190)94(66-74(11)12)158-128(195)106(75(13)14)159-127(194)98-46-37-61-160(98)77(16)161/h17-18,25-27,38-39,70-76,79-98,106H,1-2,19-24,28-37,40-69,130-132H2,3-16H3,(H2,133,162)(H2,134,163)(H2,135,174)(H,139,176)(H,140,186)(H,141,182)(H,142,184)(H,143,183)(H,144,187)(H,145,191)(H,146,177)(H,147,178)(H,148,188)(H,149,192)(H,150,193)(H,151,175)(H,152,179)(H,153,180)(H,154,181)(H,155,185)(H,156,189)(H,157,190)(H,158,195)(H,159,194)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H4,136,137,138)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,106-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332704
PNG
(CHEMBL1630528)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C130H224N32O35/c1-16-19-22-25-28-42-81(143-121(189)92(54-59-106(172)173)153-128(196)99(72-107(174)175)161-126(194)97(70-77(12)13)159-117(185)86(44-30-27-24-21-18-3)154-129(197)100-49-40-65-162(100)79(15)163)111(179)147-87(48-39-64-140-130(138)139)113(181)150-90(52-57-104(168)169)119(187)146-85(47-34-38-63-134)116(184)158-96(69-76(10)11)125(193)160-98(71-102(136)165)127(195)152-91(53-58-105(170)171)120(188)144-82(43-29-26-23-20-17-2)114(182)157-95(68-75(8)9)124(192)151-89(51-56-103(166)167)110(178)141-78(14)109(177)155-93(66-73(4)5)123(191)148-83(45-32-36-61-132)112(180)149-88(50-55-101(135)164)118(186)145-84(46-33-37-62-133)115(183)156-94(67-74(6)7)122(190)142-80(108(137)176)41-31-35-60-131/h16-18,73-78,80-100H,1-3,19-72,131-134H2,4-15H3,(H2,135,164)(H2,136,165)(H2,137,176)(H,141,178)(H,142,190)(H,143,189)(H,144,188)(H,145,186)(H,146,187)(H,147,179)(H,148,191)(H,149,180)(H,150,181)(H,151,192)(H,152,195)(H,153,196)(H,154,197)(H,155,177)(H,156,183)(H,157,182)(H,158,184)(H,159,185)(H,160,193)(H,161,194)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H4,138,139,140)/t78-,80-,81+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
PDB

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UniChem

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Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332703
PNG
(CHEMBL1630527)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C129H221N31O35/c1-18-21-24-27-30-42-80(141-119(186)90(53-58-104(170)171)151-126(193)97(70-105(172)173)157-124(191)95(68-75(12)13)158-128(195)106(76(14)15)159-127(194)98-48-40-63-160(98)78(17)161)110(177)145-85(47-39-62-138-129(136)137)112(179)148-88(51-56-102(166)167)117(184)144-84(46-35-38-61-132)115(182)155-94(67-74(10)11)123(190)156-96(69-100(134)163)125(192)150-89(52-57-103(168)169)118(185)143-82(44-32-29-26-23-20-3)114(181)154-93(66-73(8)9)122(189)149-87(50-55-101(164)165)109(176)139-77(16)108(175)152-91(64-71(4)5)121(188)146-83(45-34-37-60-131)111(178)147-86(49-54-99(133)162)116(183)142-81(43-31-28-25-22-19-2)113(180)153-92(65-72(6)7)120(187)140-79(107(135)174)41-33-36-59-130/h18-20,71-77,79-98,106H,1-3,21-70,130-132H2,4-17H3,(H2,133,162)(H2,134,163)(H2,135,174)(H,139,176)(H,140,187)(H,141,186)(H,142,183)(H,143,185)(H,144,184)(H,145,177)(H,146,188)(H,147,178)(H,148,179)(H,149,189)(H,150,192)(H,151,193)(H,152,175)(H,153,180)(H,154,181)(H,155,182)(H,156,190)(H,157,191)(H,158,195)(H,159,194)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H4,136,137,138)/t77-,79-,80+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,106-/m0/s1
PDB

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UniChem

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Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332714
PNG
(CHEMBL1632424)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H210N32O35/c1-16-17-18-22-36-76(108(176)150-88(60-68(6)7)117(185)145-82(43-48-97(161)162)105(173)136-72(14)104(172)148-86(58-66(2)3)116(184)141-77(37-24-28-53-127)106(174)143-81(42-47-95(130)159)111(179)139-78(38-25-29-54-128)109(177)149-87(59-67(4)5)115(183)137-75(103(132)171)35-23-27-52-126)138-113(181)84(45-50-99(165)166)146-121(189)92(64-96(131)160)153-118(186)89(61-69(8)9)151-110(178)79(39-26-30-55-129)140-112(180)83(44-49-98(163)164)144-107(175)80(40-31-56-135-125(133)134)142-120(188)91(63-74-33-20-19-21-34-74)152-114(182)85(46-51-100(167)168)147-122(190)93(65-101(169)170)154-119(187)90(62-70(10)11)155-124(192)102(71(12)13)156-123(191)94-41-32-57-157(94)73(15)158/h16,19-21,33-34,66-72,75-94,102H,1,17-18,22-32,35-65,126-129H2,2-15H3,(H2,130,159)(H2,131,160)(H2,132,171)(H,136,173)(H,137,183)(H,138,181)(H,139,179)(H,140,180)(H,141,184)(H,142,188)(H,143,174)(H,144,175)(H,145,185)(H,146,189)(H,147,190)(H,148,172)(H,149,177)(H,150,176)(H,151,178)(H,152,182)(H,153,186)(H,154,187)(H,155,192)(H,156,191)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,133,134,135)/t72-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332700
PNG
(CHEMBL1630201)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C129H221N31O35/c1-18-21-24-27-30-42-80(141-119(186)90(53-58-104(170)171)151-126(193)97(70-105(172)173)157-124(191)95(68-75(12)13)158-128(195)106(76(14)15)159-127(194)98-48-40-63-160(98)78(17)161)110(177)145-85(47-39-62-138-129(136)137)112(179)148-88(51-56-102(166)167)117(184)144-84(46-35-38-61-132)115(182)155-94(67-74(10)11)123(190)156-96(69-100(134)163)125(192)150-89(52-57-103(168)169)118(185)143-82(44-32-29-26-23-20-3)114(181)154-93(66-73(8)9)122(189)149-87(50-55-101(164)165)109(176)139-77(16)108(175)152-91(64-71(4)5)121(188)146-83(45-34-37-60-131)111(178)147-86(49-54-99(133)162)116(183)142-81(43-31-28-25-22-19-2)113(180)153-92(65-72(6)7)120(187)140-79(107(135)174)41-33-36-59-130/h18-20,71-77,79-98,106H,1-3,21-70,130-132H2,4-17H3,(H2,133,162)(H2,134,163)(H2,135,174)(H,139,176)(H,140,187)(H,141,186)(H,142,183)(H,143,185)(H,144,184)(H,145,177)(H,146,188)(H,147,178)(H,148,179)(H,149,189)(H,150,192)(H,151,193)(H,152,175)(H,153,180)(H,154,181)(H,155,182)(H,156,190)(H,157,191)(H,158,195)(H,159,194)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H4,136,137,138)/t77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,106-/m0/s1
PDB

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UniChem

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Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332702
PNG
(CHEMBL1630526)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C130H224N32O35/c1-16-19-22-25-28-42-81(143-121(189)92(54-59-106(172)173)153-128(196)99(72-107(174)175)161-126(194)97(70-77(12)13)159-117(185)86(44-30-27-24-21-18-3)154-129(197)100-49-40-65-162(100)79(15)163)111(179)147-87(48-39-64-140-130(138)139)113(181)150-90(52-57-104(168)169)119(187)146-85(47-34-38-63-134)116(184)158-96(69-76(10)11)125(193)160-98(71-102(136)165)127(195)152-91(53-58-105(170)171)120(188)144-82(43-29-26-23-20-17-2)114(182)157-95(68-75(8)9)124(192)151-89(51-56-103(166)167)110(178)141-78(14)109(177)155-93(66-73(4)5)123(191)148-83(45-32-36-61-132)112(180)149-88(50-55-101(135)164)118(186)145-84(46-33-37-62-133)115(183)156-94(67-74(6)7)122(190)142-80(108(137)176)41-31-35-60-131/h16-18,73-78,80-100H,1-3,19-72,131-134H2,4-15H3,(H2,135,164)(H2,136,165)(H2,137,176)(H,141,178)(H,142,190)(H,143,189)(H,144,188)(H,145,186)(H,146,187)(H,147,179)(H,148,191)(H,149,180)(H,150,181)(H,151,192)(H,152,195)(H,153,196)(H,154,197)(H,155,177)(H,156,183)(H,157,182)(H,158,184)(H,159,185)(H,160,193)(H,161,194)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H4,138,139,140)/t78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332707
PNG
(CHEMBL1631106)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C127H208N32O35/c1-67(2)59-88(118(186)142-78(36-22-26-54-129)108(176)144-82(41-47-97(132)161)112(180)140-79(37-23-27-55-130)110(178)151-89(60-68(3)4)117(185)139-77(105(134)173)35-21-25-53-128)150-106(174)73(13)138-107(175)83(42-48-99(163)164)147-119(187)90(61-69(5)6)153-115(183)86(45-51-102(169)170)146-114(182)85(44-50-101(167)168)149-124(192)95(66-98(133)162)156-120(188)91(62-70(7)8)152-111(179)80(38-24-28-56-131)141-113(181)84(43-49-100(165)166)145-109(177)81(39-29-57-137-127(135)136)143-122(190)93(64-75-31-17-15-18-32-75)154-116(184)87(46-52-103(171)172)148-123(191)94(65-76-33-19-16-20-34-76)155-121(189)92(63-71(9)10)157-126(194)104(72(11)12)158-125(193)96-40-30-58-159(96)74(14)160/h15-20,31-34,67-73,77-96,104H,21-30,35-66,128-131H2,1-14H3,(H2,132,161)(H2,133,162)(H2,134,173)(H,138,175)(H,139,185)(H,140,180)(H,141,181)(H,142,186)(H,143,190)(H,144,176)(H,145,177)(H,146,182)(H,147,187)(H,148,191)(H,149,192)(H,150,174)(H,151,178)(H,152,179)(H,153,183)(H,154,184)(H,155,189)(H,156,188)(H,157,194)(H,158,193)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,135,136,137)/t73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,104-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332677
PNG
(CHEMBL1632440)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C126H212N32O35/c1-16-17-18-19-23-37-77(109(177)151-89(61-69(6)7)118(186)146-83(44-49-98(162)163)106(174)137-73(14)105(173)149-87(59-67(2)3)117(185)142-78(38-25-29-54-128)107(175)144-82(43-48-96(131)160)112(180)140-79(39-26-30-55-129)110(178)150-88(60-68(4)5)116(184)138-76(104(133)172)36-24-28-53-127)139-114(182)85(46-51-100(166)167)147-122(190)93(65-97(132)161)154-119(187)90(62-70(8)9)152-111(179)80(40-27-31-56-130)141-113(181)84(45-50-99(164)165)145-108(176)81(41-32-57-136-126(134)135)143-121(189)92(64-75-34-21-20-22-35-75)153-115(183)86(47-52-101(168)169)148-123(191)94(66-102(170)171)155-120(188)91(63-71(10)11)156-125(193)103(72(12)13)157-124(192)95-42-33-58-158(95)74(15)159/h16,20-22,34-35,67-73,76-95,103H,1,17-19,23-33,36-66,127-130H2,2-15H3,(H2,131,160)(H2,132,161)(H2,133,172)(H,137,174)(H,138,184)(H,139,182)(H,140,180)(H,141,181)(H,142,185)(H,143,189)(H,144,175)(H,145,176)(H,146,186)(H,147,190)(H,148,191)(H,149,173)(H,150,178)(H,151,177)(H,152,179)(H,153,183)(H,154,187)(H,155,188)(H,156,193)(H,157,192)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,134,135,136)/t73-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-/m0/s1
PDB

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UniChem

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Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332708
PNG
(CHEMBL1631677)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C120H202N32O35/c1-61(2)53-81(112(180)136-72(32-20-24-48-122)102(170)138-76(37-42-90(125)154)106(174)134-73(33-21-25-49-123)104(172)145-82(54-62(3)4)111(179)133-71(98(127)166)31-19-23-47-121)143-99(167)67(13)131-101(169)77(38-43-92(156)157)141-113(181)83(55-63(5)6)147-109(177)80(41-46-95(162)163)140-108(176)79(40-45-94(160)161)142-117(185)87(59-91(126)155)148-114(182)84(56-64(7)8)146-105(173)74(34-22-26-50-124)135-107(175)78(39-44-93(158)159)139-103(171)75(35-27-51-130-120(128)129)137-116(184)86(58-70-29-17-16-18-30-70)144-100(168)68(14)132-110(178)88(60-96(164)165)149-115(183)85(57-65(9)10)150-119(187)97(66(11)12)151-118(186)89-36-28-52-152(89)69(15)153/h16-18,29-30,61-68,71-89,97H,19-28,31-60,121-124H2,1-15H3,(H2,125,154)(H2,126,155)(H2,127,166)(H,131,169)(H,132,178)(H,133,179)(H,134,174)(H,135,175)(H,136,180)(H,137,184)(H,138,170)(H,139,171)(H,140,176)(H,141,181)(H,142,185)(H,143,167)(H,144,168)(H,145,172)(H,146,173)(H,147,177)(H,148,182)(H,149,183)(H,150,187)(H,151,186)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H4,128,129,130)/t67-,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,97-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332701
PNG
(CHEMBL1630202)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C133H221N31O35/c1-16-19-22-25-31-45-84(116(183)157-96(68-76(6)7)124(191)144-83(111(139)178)44-34-37-62-134)145-120(187)90(52-57-104(137)166)150-114(181)86(48-35-38-63-135)148-125(192)95(67-75(4)5)156-112(179)80(14)143-113(180)91(53-58-106(168)169)152-126(193)97(69-77(8)9)158-117(184)85(46-32-26-23-20-17-2)146-122(189)93(55-60-108(172)173)153-130(197)101(73-105(138)167)162-127(194)98(70-78(10)11)159-118(185)87(49-36-39-64-136)147-121(188)92(54-59-107(170)171)151-115(182)89(50-40-65-142-133(140)141)149-129(196)100(72-82-42-29-28-30-43-82)161-123(190)94(56-61-109(174)175)154-131(198)102(74-110(176)177)163-128(195)99(71-79(12)13)160-119(186)88(47-33-27-24-21-18-3)155-132(199)103-51-41-66-164(103)81(15)165/h16-18,28-30,42-43,75-80,83-103H,1-3,19-27,31-41,44-74,134-136H2,4-15H3,(H2,137,166)(H2,138,167)(H2,139,178)(H,143,180)(H,144,191)(H,145,187)(H,146,189)(H,147,188)(H,148,192)(H,149,196)(H,150,181)(H,151,182)(H,152,193)(H,153,197)(H,154,198)(H,155,199)(H,156,179)(H,157,183)(H,158,184)(H,159,185)(H,160,186)(H,161,190)(H,162,194)(H,163,195)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H4,140,141,142)/t80-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332705
PNG
(CHEMBL1630529)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C133H227N31O35/c1-17-21-25-29-33-46-84(145-124(191)95(58-63-109(174)175)155-131(198)102(75-110(176)177)163-129(196)100(73-80(13)14)161-120(187)89(49-36-32-28-24-20-4)156-132(199)103-53-44-68-164(103)82(16)165)114(181)149-90(52-43-67-142-133(140)141)116(183)152-93(56-61-107(170)171)122(189)148-88(51-39-42-66-136)119(186)160-99(72-79(11)12)128(195)162-101(74-105(138)167)130(197)154-94(57-62-108(172)173)123(190)147-86(48-35-31-27-23-19-3)118(185)159-98(71-78(9)10)127(194)153-92(55-60-106(168)169)113(180)143-81(15)112(179)157-96(69-76(5)6)126(193)150-87(50-38-41-65-135)115(182)151-91(54-59-104(137)166)121(188)146-85(47-34-30-26-22-18-2)117(184)158-97(70-77(7)8)125(192)144-83(111(139)178)45-37-40-64-134/h17-20,76-81,83-103H,1-4,21-75,134-136H2,5-16H3,(H2,137,166)(H2,138,167)(H2,139,178)(H,143,180)(H,144,192)(H,145,191)(H,146,188)(H,147,190)(H,148,189)(H,149,181)(H,150,193)(H,151,182)(H,152,183)(H,153,194)(H,154,197)(H,155,198)(H,156,199)(H,157,179)(H,158,184)(H,159,185)(H,160,186)(H,161,187)(H,162,195)(H,163,196)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H4,140,141,142)/t81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 6.70E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332685
PNG
(CHEMBL1630186)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C126H212N32O35/c1-16-17-18-19-23-37-77(109(177)151-89(61-69(6)7)118(186)146-83(44-49-98(162)163)106(174)137-73(14)105(173)149-87(59-67(2)3)117(185)142-78(38-25-29-54-128)107(175)144-82(43-48-96(131)160)112(180)140-79(39-26-30-55-129)110(178)150-88(60-68(4)5)116(184)138-76(104(133)172)36-24-28-53-127)139-114(182)85(46-51-100(166)167)147-122(190)93(65-97(132)161)154-119(187)90(62-70(8)9)152-111(179)80(40-27-31-56-130)141-113(181)84(45-50-99(164)165)145-108(176)81(41-32-57-136-126(134)135)143-121(189)92(64-75-34-21-20-22-35-75)153-115(183)86(47-52-101(168)169)148-123(191)94(66-102(170)171)155-120(188)91(63-71(10)11)156-125(193)103(72(12)13)157-124(192)95-42-33-58-158(95)74(15)159/h16,20-22,34-35,67-73,76-95,103H,1,17-19,23-33,36-66,127-130H2,2-15H3,(H2,131,160)(H2,132,161)(H2,133,172)(H,137,174)(H,138,184)(H,139,182)(H,140,180)(H,141,181)(H,142,185)(H,143,189)(H,144,175)(H,145,176)(H,146,186)(H,147,190)(H,148,191)(H,149,173)(H,150,178)(H,151,177)(H,152,179)(H,153,183)(H,154,187)(H,155,188)(H,156,193)(H,157,192)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,134,135,136)/t73-,76-,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-/m0/s1
PDB

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n/an/an/an/a 9.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332667
PNG
(CHEMBL1632430)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H210N32O35/c1-16-17-18-22-36-76(108(176)150-88(60-68(6)7)117(185)145-82(43-48-97(161)162)105(173)136-72(14)104(172)148-86(58-66(2)3)116(184)141-77(37-24-28-53-127)106(174)143-81(42-47-95(130)159)111(179)139-78(38-25-29-54-128)109(177)149-87(59-67(4)5)115(183)137-75(103(132)171)35-23-27-52-126)138-113(181)84(45-50-99(165)166)146-121(189)92(64-96(131)160)153-118(186)89(61-69(8)9)151-110(178)79(39-26-30-55-129)140-112(180)83(44-49-98(163)164)144-107(175)80(40-31-56-135-125(133)134)142-120(188)91(63-74-33-20-19-21-34-74)152-114(182)85(46-51-100(167)168)147-122(190)93(65-101(169)170)154-119(187)90(62-70(10)11)155-124(192)102(71(12)13)156-123(191)94-41-32-57-157(94)73(15)158/h16,19-21,33-34,66-72,75-94,102H,1,17-18,22-32,35-65,126-129H2,2-15H3,(H2,130,159)(H2,131,160)(H2,132,171)(H,136,173)(H,137,183)(H,138,181)(H,139,179)(H,140,180)(H,141,184)(H,142,188)(H,143,174)(H,144,175)(H,145,185)(H,146,189)(H,147,190)(H,148,172)(H,149,177)(H,150,176)(H,151,178)(H,152,182)(H,153,186)(H,154,187)(H,155,192)(H,156,191)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,133,134,135)/t72-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-/m0/s1
PDB

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Article
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n/an/an/an/a 3.10E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332688
PNG
(CHEMBL1630189)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H207N31O37/c1-16-17-18-19-23-35-75(108(177)148-86(58-66(4)5)115(184)136-74(103(131)172)34-24-27-52-126)137-110(179)79(40-46-94(129)158)141-106(175)76(36-25-28-53-127)139-116(185)85(57-65(2)3)147-104(173)71(14)135-105(174)80(41-47-96(160)161)144-117(186)87(59-67(6)7)150-113(182)83(44-50-99(166)167)143-112(181)82(43-49-98(164)165)145-121(190)91(63-95(130)159)152-118(187)88(60-68(8)9)149-109(178)77(37-26-29-54-128)138-111(180)81(42-48-97(162)163)142-107(176)78(38-30-55-134-125(132)133)140-120(189)90(62-73-32-21-20-22-33-73)151-114(183)84(45-51-100(168)169)146-122(191)92(64-101(170)171)153-119(188)89(61-69(10)11)154-124(193)102(70(12)13)155-123(192)93-39-31-56-156(93)72(15)157/h16,20-22,32-33,65-71,74-93,102H,1,17-19,23-31,34-64,126-128H2,2-15H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,184)(H,137,179)(H,138,180)(H,139,185)(H,140,189)(H,141,175)(H,142,176)(H,143,181)(H,144,186)(H,145,190)(H,146,191)(H,147,173)(H,148,177)(H,149,178)(H,150,182)(H,151,183)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332689
PNG
(CHEMBL1630190)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCCC=C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-17-21-35-75(106(176)137-74(103(132)173)34-22-26-53-126)138-107(177)76(36-23-27-54-127)139-111(181)80(41-47-94(130)159)143-108(178)77(37-24-28-55-128)141-116(186)86(59-66(2)3)149-104(174)71(12)136-105(175)81(42-48-96(161)162)146-117(187)87(60-67(4)5)151-114(184)84(45-51-99(167)168)145-113(183)83(44-50-98(165)166)147-121(191)91(64-95(131)160)153-118(188)88(61-68(6)7)150-110(180)78(38-25-29-56-129)140-112(182)82(43-49-97(163)164)144-109(179)79(39-30-57-135-125(133)134)142-120(190)90(63-73-32-19-18-20-33-73)152-115(185)85(46-52-100(169)170)148-122(192)92(65-101(171)172)154-119(189)89(62-69(8)9)155-124(194)102(70(10)11)156-123(193)93-40-31-58-157(93)72(13)158/h14,18-20,32-33,66-71,74-93,102H,1,15-17,21-31,34-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,176)(H,138,177)(H,139,181)(H,140,182)(H,141,186)(H,142,190)(H,143,178)(H,144,179)(H,145,183)(H,146,187)(H,147,191)(H,148,192)(H,149,174)(H,150,180)(H,151,184)(H,152,185)(H,153,188)(H,154,189)(H,155,194)(H,156,193)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332706
PNG
(CHEMBL1631105 | PVLDEFREKLNEELEALKQKLK)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C122H204N32O37/c1-62(2)54-82(113(183)137-72(31-19-23-49-124)103(173)139-76(36-42-91(127)156)107(177)135-73(32-20-24-50-125)105(175)146-83(55-63(3)4)112(182)134-71(100(129)170)30-18-22-48-123)145-101(171)68(13)133-102(172)77(37-43-93(158)159)142-114(184)84(56-64(5)6)148-110(180)80(40-46-96(164)165)141-109(179)79(39-45-95(162)163)143-118(188)88(60-92(128)157)150-115(185)85(57-65(7)8)147-106(176)74(33-21-25-51-126)136-108(178)78(38-44-94(160)161)140-104(174)75(34-26-52-132-122(130)131)138-117(187)87(59-70-28-16-15-17-29-70)149-111(181)81(41-47-97(166)167)144-119(189)89(61-98(168)169)151-116(186)86(58-66(9)10)152-121(191)99(67(11)12)153-120(190)90-35-27-53-154(90)69(14)155/h15-17,28-29,62-68,71-90,99H,18-27,30-61,123-126H2,1-14H3,(H2,127,156)(H2,128,157)(H2,129,170)(H,133,172)(H,134,182)(H,135,177)(H,136,178)(H,137,183)(H,138,187)(H,139,173)(H,140,174)(H,141,179)(H,142,184)(H,143,188)(H,144,189)(H,145,171)(H,146,175)(H,147,176)(H,148,180)(H,149,181)(H,150,185)(H,151,186)(H,152,191)(H,153,190)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,130,131,132)/t68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332709
PNG
(CHEMBL1631678)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-20-34-78(148-124(194)94-39-30-57-157(94)72(13)158)110(180)152-90(62-70(10)11)120(190)156-93(65-102(171)172)123(193)147-85(45-51-101(169)170)115(185)154-91(63-73-31-18-17-19-32-73)121(191)141-79(38-29-56-135-125(133)134)107(177)143-82(42-48-98(163)164)112(182)139-77(37-24-28-55-129)109(179)151-89(61-69(8)9)119(189)155-92(64-96(131)160)122(192)146-83(43-49-99(165)166)113(183)144-84(44-50-100(167)168)114(184)153-88(60-68(6)7)118(188)145-81(41-47-97(161)162)105(175)136-71(12)104(174)149-86(58-66(2)3)117(187)140-75(35-22-26-53-127)106(176)142-80(40-46-95(130)159)111(181)138-76(36-23-27-54-128)108(178)150-87(59-67(4)5)116(186)137-74(103(132)173)33-21-25-52-126/h14,17-19,31-32,66-71,74-94H,1,15-16,20-30,33-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,186)(H,138,181)(H,139,182)(H,140,187)(H,141,191)(H,142,176)(H,143,177)(H,144,183)(H,145,188)(H,146,192)(H,147,193)(H,148,194)(H,149,174)(H,150,178)(H,151,179)(H,152,180)(H,153,184)(H,154,185)(H,155,189)(H,156,190)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332710
PNG
(CHEMBL1631679)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCC=C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H206N32O37/c1-14-15-16-20-34-77(147-123(193)101(69(10)11)155-122(192)92-39-30-57-156(92)71(13)157)109(179)154-91(64-100(170)171)121(191)146-84(45-51-99(168)169)114(184)152-89(62-72-31-18-17-19-32-72)119(189)140-78(38-29-56-134-124(132)133)106(176)142-81(42-48-96(162)163)111(181)138-76(37-24-28-55-128)108(178)150-88(61-68(8)9)118(188)153-90(63-94(130)159)120(190)145-82(43-49-97(164)165)112(182)143-83(44-50-98(166)167)113(183)151-87(60-67(6)7)117(187)144-80(41-47-95(160)161)104(174)135-70(12)103(173)148-85(58-65(2)3)116(186)139-74(35-22-26-53-126)105(175)141-79(40-46-93(129)158)110(180)137-75(36-23-27-54-127)107(177)149-86(59-66(4)5)115(185)136-73(102(131)172)33-21-25-52-125/h14,17-19,31-32,65-70,73-92,101H,1,15-16,20-30,33-64,125-128H2,2-13H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,185)(H,137,180)(H,138,181)(H,139,186)(H,140,189)(H,141,175)(H,142,176)(H,143,182)(H,144,187)(H,145,190)(H,146,191)(H,147,193)(H,148,173)(H,149,177)(H,150,178)(H,151,183)(H,152,184)(H,153,188)(H,154,179)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332711
PNG
(CHEMBL1631680)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C121H208N32O37/c1-16-17-18-19-31-71(134-109(179)79(40-46-94(161)162)144-118(188)88(61-97(167)168)150-116(186)86(59-66(10)11)151-120(190)98(67(12)13)152-119(189)89-36-29-54-153(89)69(15)154)102(172)137-75(35-28-53-131-121(129)130)104(174)140-78(39-45-93(159)160)108(178)136-74(34-23-27-52-125)106(176)147-85(58-65(8)9)115(185)149-87(60-91(127)156)117(187)143-80(41-47-95(163)164)110(180)141-81(42-48-96(165)166)111(181)148-84(57-64(6)7)114(184)142-77(38-44-92(157)158)101(171)132-68(14)100(170)145-82(55-62(2)3)113(183)138-72(32-21-25-50-123)103(173)139-76(37-43-90(126)155)107(177)135-73(33-22-26-51-124)105(175)146-83(56-63(4)5)112(182)133-70(99(128)169)30-20-24-49-122/h16,62-68,70-89,98H,1,17-61,122-125H2,2-15H3,(H2,126,155)(H2,127,156)(H2,128,169)(H,132,171)(H,133,182)(H,134,179)(H,135,177)(H,136,178)(H,137,172)(H,138,183)(H,139,173)(H,140,174)(H,141,180)(H,142,184)(H,143,187)(H,144,188)(H,145,170)(H,146,175)(H,147,176)(H,148,181)(H,149,185)(H,150,186)(H,151,190)(H,152,189)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H4,129,130,131)/t68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,98-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332712
PNG
(CHEMBL1631681)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H205N31O37/c1-16-17-18-22-34-74(136-110(179)80(41-47-96(161)162)141-106(175)77(37-29-54-133-124(131)132)139-119(188)89(61-72-31-20-19-21-32-72)150-113(182)83(44-50-99(167)168)145-121(190)91(63-100(169)170)152-118(187)88(60-68(10)11)153-123(192)101(69(12)13)154-122(191)92-38-30-55-155(92)71(15)156)107(176)148-87(59-67(8)9)117(186)151-90(62-94(129)158)120(189)144-81(42-48-97(163)164)111(180)142-82(43-49-98(165)166)112(181)149-86(58-66(6)7)116(185)143-79(40-46-95(159)160)104(173)134-70(14)103(172)146-84(56-64(2)3)115(184)138-75(35-24-27-52-126)105(174)140-78(39-45-93(128)157)109(178)137-76(36-25-28-53-127)108(177)147-85(57-65(4)5)114(183)135-73(102(130)171)33-23-26-51-125/h16,19-21,31-32,64-70,73-92,101H,1,17-18,22-30,33-63,125-127H2,2-15H3,(H2,128,157)(H2,129,158)(H2,130,171)(H,134,173)(H,135,183)(H,136,179)(H,137,178)(H,138,184)(H,139,188)(H,140,174)(H,141,175)(H,142,180)(H,143,185)(H,144,189)(H,145,190)(H,146,172)(H,147,177)(H,148,176)(H,149,181)(H,150,182)(H,151,186)(H,152,187)(H,153,192)(H,154,191)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,131,132,133)/t70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332713
PNG
(CHEMBL1632423)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H206N32O37/c1-14-15-16-20-34-74(137-105(175)75(35-22-26-53-126)138-111(181)81(42-48-96(162)163)143-107(177)78(38-29-56-134-124(132)133)141-119(189)89(62-72-31-18-17-19-32-72)151-114(184)84(45-51-99(168)169)147-121(191)91(64-100(170)171)153-118(188)88(61-68(8)9)154-123(193)101(69(10)11)155-122(192)92-39-30-57-156(92)71(13)157)109(179)152-90(63-94(130)159)120(190)146-82(43-49-97(164)165)112(182)144-83(44-50-98(166)167)113(183)150-87(60-67(6)7)117(187)145-80(41-47-95(160)161)104(174)135-70(12)103(173)148-85(58-65(2)3)116(186)140-76(36-23-27-54-127)106(176)142-79(40-46-93(129)158)110(180)139-77(37-24-28-55-128)108(178)149-86(59-66(4)5)115(185)136-73(102(131)172)33-21-25-52-125/h14,17-19,31-32,65-70,73-92,101H,1,15-16,20-30,33-64,125-128H2,2-13H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,185)(H,137,175)(H,138,181)(H,139,180)(H,140,186)(H,141,189)(H,142,176)(H,143,177)(H,144,182)(H,145,187)(H,146,190)(H,147,191)(H,148,173)(H,149,178)(H,150,183)(H,151,184)(H,152,179)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332715
PNG
(CHEMBL1632419)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H206N32O37/c1-14-15-16-20-34-74(105(175)143-80(41-47-95(160)161)104(174)135-70(12)103(173)148-85(58-65(2)3)116(186)140-75(35-22-26-53-126)106(176)142-79(40-46-93(129)158)110(180)138-76(36-23-27-54-127)108(178)149-86(59-66(4)5)115(185)136-73(102(131)172)33-21-25-52-125)137-112(182)82(43-49-97(164)165)145-113(183)83(44-50-98(166)167)146-120(190)90(63-94(130)159)152-117(187)87(60-67(6)7)150-109(179)77(37-24-28-55-128)139-111(181)81(42-48-96(162)163)144-107(177)78(38-29-56-134-124(132)133)141-119(189)89(62-72-31-18-17-19-32-72)151-114(184)84(45-51-99(168)169)147-121(191)91(64-100(170)171)153-118(188)88(61-68(8)9)154-123(193)101(69(10)11)155-122(192)92-39-30-57-156(92)71(13)157/h14,17-19,31-32,65-70,73-92,101H,1,15-16,20-30,33-64,125-128H2,2-13H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,185)(H,137,182)(H,138,180)(H,139,181)(H,140,186)(H,141,189)(H,142,176)(H,143,175)(H,144,177)(H,145,183)(H,146,190)(H,147,191)(H,148,173)(H,149,178)(H,150,179)(H,151,184)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332716
PNG
(CHEMBL1632420)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H206N32O37/c1-14-15-16-20-34-74(105(175)138-75(35-22-26-53-126)106(176)142-79(40-46-93(129)158)110(180)139-76(36-23-27-54-127)108(178)148-85(58-65(2)3)115(185)136-73(102(131)172)33-21-25-52-125)137-103(173)70(12)135-104(174)80(41-47-95(160)161)145-116(186)86(59-66(4)5)150-113(183)83(44-50-98(166)167)144-112(182)82(43-49-97(164)165)146-120(190)90(63-94(130)159)152-117(187)87(60-67(6)7)149-109(179)77(37-24-28-55-128)140-111(181)81(42-48-96(162)163)143-107(177)78(38-29-56-134-124(132)133)141-119(189)89(62-72-31-18-17-19-32-72)151-114(184)84(45-51-99(168)169)147-121(191)91(64-100(170)171)153-118(188)88(61-68(8)9)154-123(193)101(69(10)11)155-122(192)92-39-30-57-156(92)71(13)157/h14,17-19,31-32,65-70,73-92,101H,1,15-16,20-30,33-64,125-128H2,2-13H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,185)(H,137,173)(H,138,175)(H,139,180)(H,140,181)(H,141,189)(H,142,176)(H,143,177)(H,144,182)(H,145,186)(H,146,190)(H,147,191)(H,148,178)(H,149,179)(H,150,183)(H,151,184)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332687
PNG
(CHEMBL1630188)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-17-21-35-75(106(176)139-76(36-23-27-54-127)107(177)143-80(41-47-94(130)159)111(181)140-77(37-24-28-55-128)109(179)149-86(59-66(2)3)116(186)137-74(103(132)173)34-22-26-53-126)138-104(174)71(12)136-105(175)81(42-48-96(161)162)146-117(187)87(60-67(4)5)151-114(184)84(45-51-99(167)168)145-113(183)83(44-50-98(165)166)147-121(191)91(64-95(131)160)153-118(188)88(61-68(6)7)150-110(180)78(38-25-29-56-129)141-112(182)82(43-49-97(163)164)144-108(178)79(39-30-57-135-125(133)134)142-120(190)90(63-73-32-19-18-20-33-73)152-115(185)85(46-52-100(169)170)148-122(192)92(65-101(171)172)154-119(189)89(62-69(8)9)155-124(194)102(70(10)11)156-123(193)93-40-31-58-157(93)72(13)158/h14,18-20,32-33,66-71,74-93,102H,1,15-17,21-31,34-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,186)(H,138,174)(H,139,176)(H,140,181)(H,141,182)(H,142,190)(H,143,177)(H,144,178)(H,145,183)(H,146,187)(H,147,191)(H,148,192)(H,149,179)(H,150,180)(H,151,184)(H,152,185)(H,153,188)(H,154,189)(H,155,194)(H,156,193)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332686
PNG
(CHEMBL1630187)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-17-21-35-75(106(176)144-81(42-48-96(161)162)105(175)136-71(12)104(174)149-86(59-66(2)3)117(187)141-76(36-23-27-54-127)107(177)143-80(41-47-94(130)159)111(181)139-77(37-24-28-55-128)109(179)150-87(60-67(4)5)116(186)137-74(103(132)173)34-22-26-53-126)138-113(183)83(44-50-98(165)166)146-114(184)84(45-51-99(167)168)147-121(191)91(64-95(131)160)153-118(188)88(61-68(6)7)151-110(180)78(38-25-29-56-129)140-112(182)82(43-49-97(163)164)145-108(178)79(39-30-57-135-125(133)134)142-120(190)90(63-73-32-19-18-20-33-73)152-115(185)85(46-52-100(169)170)148-122(192)92(65-101(171)172)154-119(189)89(62-69(8)9)155-124(194)102(70(10)11)156-123(193)93-40-31-58-157(93)72(13)158/h14,18-20,32-33,66-71,74-93,102H,1,15-17,21-31,34-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,186)(H,138,183)(H,139,181)(H,140,182)(H,141,187)(H,142,190)(H,143,177)(H,144,176)(H,145,178)(H,146,184)(H,147,191)(H,148,192)(H,149,174)(H,150,179)(H,151,180)(H,152,185)(H,153,188)(H,154,189)(H,155,194)(H,156,193)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332684
PNG
(CHEMBL1630185)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-17-21-35-75(138-106(176)76(36-23-27-54-127)139-112(182)82(43-49-97(163)164)144-108(178)79(39-30-57-135-125(133)134)142-120(190)90(63-73-32-19-18-20-33-73)152-115(185)85(46-52-100(169)170)148-122(192)92(65-101(171)172)154-119(189)89(62-69(8)9)155-124(194)102(70(10)11)156-123(193)93-40-31-58-157(93)72(13)158)110(180)153-91(64-95(131)160)121(191)147-83(44-50-98(165)166)113(183)145-84(45-51-99(167)168)114(184)151-88(61-68(6)7)118(188)146-81(42-48-96(161)162)105(175)136-71(12)104(174)149-86(59-66(2)3)117(187)141-77(37-24-28-55-128)107(177)143-80(41-47-94(130)159)111(181)140-78(38-25-29-56-129)109(179)150-87(60-67(4)5)116(186)137-74(103(132)173)34-22-26-53-126/h14,18-20,32-33,66-71,74-93,102H,1,15-17,21-31,34-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,186)(H,138,176)(H,139,182)(H,140,181)(H,141,187)(H,142,190)(H,143,177)(H,144,178)(H,145,183)(H,146,188)(H,147,191)(H,148,192)(H,149,174)(H,150,179)(H,151,184)(H,152,185)(H,153,180)(H,154,189)(H,155,194)(H,156,193)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332683
PNG
(CHEMBL1630183)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H207N31O37/c1-16-17-18-19-23-35-75(137-111(180)81(42-48-97(162)163)142-107(176)78(38-30-55-134-125(132)133)140-120(189)90(62-73-32-21-20-22-33-73)151-114(183)84(45-51-100(168)169)146-122(191)92(64-101(170)171)153-119(188)89(61-69(10)11)154-124(193)102(70(12)13)155-123(192)93-39-31-56-156(93)72(15)157)108(177)149-88(60-68(8)9)118(187)152-91(63-95(130)159)121(190)145-82(43-49-98(164)165)112(181)143-83(44-50-99(166)167)113(182)150-87(59-67(6)7)117(186)144-80(41-47-96(160)161)105(174)135-71(14)104(173)147-85(57-65(2)3)116(185)139-76(36-25-28-53-127)106(175)141-79(40-46-94(129)158)110(179)138-77(37-26-29-54-128)109(178)148-86(58-66(4)5)115(184)136-74(103(131)172)34-24-27-52-126/h16,20-22,32-33,65-71,74-93,102H,1,17-19,23-31,34-64,126-128H2,2-15H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,184)(H,137,180)(H,138,179)(H,139,185)(H,140,189)(H,141,175)(H,142,176)(H,143,181)(H,144,186)(H,145,190)(H,146,191)(H,147,173)(H,148,178)(H,149,177)(H,150,182)(H,151,183)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332682
PNG
(CHEMBL1630182)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C122H210N32O37/c1-16-17-18-19-20-32-72(135-110(180)80(41-47-95(162)163)145-119(189)89(62-98(168)169)151-117(187)87(60-67(10)11)152-121(191)99(68(12)13)153-120(190)90-37-30-55-154(90)70(15)155)103(173)138-76(36-29-54-132-122(130)131)105(175)141-79(40-46-94(160)161)109(179)137-75(35-24-28-53-126)107(177)148-86(59-66(8)9)116(186)150-88(61-92(128)157)118(188)144-81(42-48-96(164)165)111(181)142-82(43-49-97(166)167)112(182)149-85(58-65(6)7)115(185)143-78(39-45-93(158)159)102(172)133-69(14)101(171)146-83(56-63(2)3)114(184)139-73(33-22-26-51-124)104(174)140-77(38-44-91(127)156)108(178)136-74(34-23-27-52-125)106(176)147-84(57-64(4)5)113(183)134-71(100(129)170)31-21-25-50-123/h16,63-69,71-90,99H,1,17-62,123-126H2,2-15H3,(H2,127,156)(H2,128,157)(H2,129,170)(H,133,172)(H,134,183)(H,135,180)(H,136,178)(H,137,179)(H,138,173)(H,139,184)(H,140,174)(H,141,175)(H,142,181)(H,143,185)(H,144,188)(H,145,189)(H,146,171)(H,147,176)(H,148,177)(H,149,182)(H,150,186)(H,151,187)(H,152,191)(H,153,190)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,130,131,132)/t69-,71-,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332681
PNG
(CHEMBL1630181)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C126H210N32O37/c1-14-15-16-17-21-35-79(149-125(195)95-40-31-58-158(95)73(13)159)111(181)153-91(63-71(10)11)121(191)157-94(66-103(172)173)124(194)148-86(46-52-102(170)171)116(186)155-92(64-74-32-19-18-20-33-74)122(192)142-80(39-30-57-136-126(134)135)108(178)144-83(43-49-99(164)165)113(183)140-78(38-25-29-56-130)110(180)152-90(62-70(8)9)120(190)156-93(65-97(132)161)123(193)147-84(44-50-100(166)167)114(184)145-85(45-51-101(168)169)115(185)154-89(61-69(6)7)119(189)146-82(42-48-98(162)163)106(176)137-72(12)105(175)150-87(59-67(2)3)118(188)141-76(36-23-27-54-128)107(177)143-81(41-47-96(131)160)112(182)139-77(37-24-28-55-129)109(179)151-88(60-68(4)5)117(187)138-75(104(133)174)34-22-26-53-127/h14,18-20,32-33,67-72,75-95H,1,15-17,21-31,34-66,127-130H2,2-13H3,(H2,131,160)(H2,132,161)(H2,133,174)(H,137,176)(H,138,187)(H,139,182)(H,140,183)(H,141,188)(H,142,192)(H,143,177)(H,144,178)(H,145,184)(H,146,189)(H,147,193)(H,148,194)(H,149,195)(H,150,175)(H,151,179)(H,152,180)(H,153,181)(H,154,185)(H,155,186)(H,156,190)(H,157,191)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H4,134,135,136)/t72-,75-,76-,77-,78-,79+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332680
PNG
(CHEMBL1630180)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H207N31O37/c1-16-17-18-19-23-35-75(108(177)148-86(58-66(4)5)115(184)136-74(103(131)172)34-24-27-52-126)137-110(179)79(40-46-94(129)158)141-106(175)76(36-25-28-53-127)139-116(185)85(57-65(2)3)147-104(173)71(14)135-105(174)80(41-47-96(160)161)144-117(186)87(59-67(6)7)150-113(182)83(44-50-99(166)167)143-112(181)82(43-49-98(164)165)145-121(190)91(63-95(130)159)152-118(187)88(60-68(8)9)149-109(178)77(37-26-29-54-128)138-111(180)81(42-48-97(162)163)142-107(176)78(38-30-55-134-125(132)133)140-120(189)90(62-73-32-21-20-22-33-73)151-114(183)84(45-51-100(168)169)146-122(191)92(64-101(170)171)153-119(188)89(61-69(10)11)154-124(193)102(70(12)13)155-123(192)93-39-31-56-156(93)72(15)157/h16,20-22,32-33,65-71,74-93,102H,1,17-19,23-31,34-64,126-128H2,2-15H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,184)(H,137,179)(H,138,180)(H,139,185)(H,140,189)(H,141,175)(H,142,176)(H,143,181)(H,144,186)(H,145,190)(H,146,191)(H,147,173)(H,148,177)(H,149,178)(H,150,182)(H,151,183)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t71-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332679
PNG
(CHEMBL1630184)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-17-21-35-75(106(176)139-76(36-23-27-54-127)107(177)143-80(41-47-94(130)159)111(181)140-77(37-24-28-55-128)109(179)149-86(59-66(2)3)116(186)137-74(103(132)173)34-22-26-53-126)138-104(174)71(12)136-105(175)81(42-48-96(161)162)146-117(187)87(60-67(4)5)151-114(184)84(45-51-99(167)168)145-113(183)83(44-50-98(165)166)147-121(191)91(64-95(131)160)153-118(188)88(61-68(6)7)150-110(180)78(38-25-29-56-129)141-112(182)82(43-49-97(163)164)144-108(178)79(39-30-57-135-125(133)134)142-120(190)90(63-73-32-19-18-20-33-73)152-115(185)85(46-52-100(169)170)148-122(192)92(65-101(171)172)154-119(189)89(62-69(8)9)155-124(194)102(70(10)11)156-123(193)93-40-31-58-157(93)72(13)158/h14,18-20,32-33,66-71,74-93,102H,1,15-17,21-31,34-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,186)(H,138,174)(H,139,176)(H,140,181)(H,141,182)(H,142,190)(H,143,177)(H,144,178)(H,145,183)(H,146,187)(H,147,191)(H,148,192)(H,149,179)(H,150,180)(H,151,184)(H,152,185)(H,153,188)(H,154,189)(H,155,194)(H,156,193)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332678
PNG
(CHEMBL1632441)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-17-21-35-75(106(176)144-81(42-48-96(161)162)105(175)136-71(12)104(174)149-86(59-66(2)3)117(187)141-76(36-23-27-54-127)107(177)143-80(41-47-94(130)159)111(181)139-77(37-24-28-55-128)109(179)150-87(60-67(4)5)116(186)137-74(103(132)173)34-22-26-53-126)138-113(183)83(44-50-98(165)166)146-114(184)84(45-51-99(167)168)147-121(191)91(64-95(131)160)153-118(188)88(61-68(6)7)151-110(180)78(38-25-29-56-129)140-112(182)82(43-49-97(163)164)145-108(178)79(39-30-57-135-125(133)134)142-120(190)90(63-73-32-19-18-20-33-73)152-115(185)85(46-52-100(169)170)148-122(192)92(65-101(171)172)154-119(189)89(62-69(8)9)155-124(194)102(70(10)11)156-123(193)93-40-31-58-157(93)72(13)158/h14,18-20,32-33,66-71,74-93,102H,1,15-17,21-31,34-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,186)(H,138,183)(H,139,181)(H,140,182)(H,141,187)(H,142,190)(H,143,177)(H,144,176)(H,145,178)(H,146,184)(H,147,191)(H,148,192)(H,149,174)(H,150,179)(H,151,180)(H,152,185)(H,153,188)(H,154,189)(H,155,194)(H,156,193)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
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UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332676
PNG
(CHEMBL1632439)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H208N32O37/c1-14-15-16-17-21-35-75(138-106(176)76(36-23-27-54-127)139-112(182)82(43-49-97(163)164)144-108(178)79(39-30-57-135-125(133)134)142-120(190)90(63-73-32-19-18-20-33-73)152-115(185)85(46-52-100(169)170)148-122(192)92(65-101(171)172)154-119(189)89(62-69(8)9)155-124(194)102(70(10)11)156-123(193)93-40-31-58-157(93)72(13)158)110(180)153-91(64-95(131)160)121(191)147-83(44-50-98(165)166)113(183)145-84(45-51-99(167)168)114(184)151-88(61-68(6)7)118(188)146-81(42-48-96(161)162)105(175)136-71(12)104(174)149-86(59-66(2)3)117(187)141-77(37-24-28-55-128)107(177)143-80(41-47-94(130)159)111(181)140-78(38-25-29-56-129)109(179)150-87(60-67(4)5)116(186)137-74(103(132)173)34-22-26-53-126/h14,18-20,32-33,66-71,74-93,102H,1,15-17,21-31,34-65,126-129H2,2-13H3,(H2,130,159)(H2,131,160)(H2,132,173)(H,136,175)(H,137,186)(H,138,176)(H,139,182)(H,140,181)(H,141,187)(H,142,190)(H,143,177)(H,144,178)(H,145,183)(H,146,188)(H,147,191)(H,148,192)(H,149,174)(H,150,179)(H,151,184)(H,152,185)(H,153,180)(H,154,189)(H,155,194)(H,156,193)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H4,133,134,135)/t71-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332675
PNG
(CHEMBL1632438)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H207N31O37/c1-16-17-18-19-23-35-75(137-111(180)81(42-48-97(162)163)142-107(176)78(38-30-55-134-125(132)133)140-120(189)90(62-73-32-21-20-22-33-73)151-114(183)84(45-51-100(168)169)146-122(191)92(64-101(170)171)153-119(188)89(61-69(10)11)154-124(193)102(70(12)13)155-123(192)93-39-31-56-156(93)72(15)157)108(177)149-88(60-68(8)9)118(187)152-91(63-95(130)159)121(190)145-82(43-49-98(164)165)112(181)143-83(44-50-99(166)167)113(182)150-87(59-67(6)7)117(186)144-80(41-47-96(160)161)105(174)135-71(14)104(173)147-85(57-65(2)3)116(185)139-76(36-25-28-53-127)106(175)141-79(40-46-94(129)158)110(179)138-77(37-26-29-54-128)109(178)148-86(58-66(4)5)115(184)136-74(103(131)172)34-24-27-52-126/h16,20-22,32-33,65-71,74-93,102H,1,17-19,23-31,34-64,126-128H2,2-15H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,184)(H,137,180)(H,138,179)(H,139,185)(H,140,189)(H,141,175)(H,142,176)(H,143,181)(H,144,186)(H,145,190)(H,146,191)(H,147,173)(H,148,178)(H,149,177)(H,150,182)(H,151,183)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t71-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332674
PNG
(CHEMBL1632437)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C122H210N32O37/c1-16-17-18-19-20-32-72(135-110(180)80(41-47-95(162)163)145-119(189)89(62-98(168)169)151-117(187)87(60-67(10)11)152-121(191)99(68(12)13)153-120(190)90-37-30-55-154(90)70(15)155)103(173)138-76(36-29-54-132-122(130)131)105(175)141-79(40-46-94(160)161)109(179)137-75(35-24-28-53-126)107(177)148-86(59-66(8)9)116(186)150-88(61-92(128)157)118(188)144-81(42-48-96(164)165)111(181)142-82(43-49-97(166)167)112(182)149-85(58-65(6)7)115(185)143-78(39-45-93(158)159)102(172)133-69(14)101(171)146-83(56-63(2)3)114(184)139-73(33-22-26-51-124)104(174)140-77(38-44-91(127)156)108(178)136-74(34-23-27-52-125)106(176)147-84(57-64(4)5)113(183)134-71(100(129)170)31-21-25-50-123/h16,63-69,71-90,99H,1,17-62,123-126H2,2-15H3,(H2,127,156)(H2,128,157)(H2,129,170)(H,133,172)(H,134,183)(H,135,180)(H,136,178)(H,137,179)(H,138,173)(H,139,184)(H,140,174)(H,141,175)(H,142,181)(H,143,185)(H,144,188)(H,145,189)(H,146,171)(H,147,176)(H,148,177)(H,149,182)(H,150,186)(H,151,187)(H,152,191)(H,153,190)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,130,131,132)/t69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332673
PNG
(CHEMBL1632436)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H208N32O35/c1-16-17-19-35-75(107(175)149-87(59-67(6)7)116(184)144-81(42-47-96(160)161)104(172)135-71(14)103(171)147-85(57-65(2)3)115(183)140-76(36-23-27-52-126)105(173)142-80(41-46-94(129)158)110(178)138-77(37-24-28-53-127)108(176)148-86(58-66(4)5)114(182)136-74(102(131)170)34-22-26-51-125)137-112(180)83(44-49-98(164)165)145-120(188)91(63-95(130)159)152-117(185)88(60-68(8)9)150-109(177)78(38-25-29-54-128)139-111(179)82(43-48-97(162)163)143-106(174)79(39-30-55-134-124(132)133)141-119(187)90(62-73-32-20-18-21-33-73)151-113(181)84(45-50-99(166)167)146-121(189)92(64-100(168)169)153-118(186)89(61-69(10)11)154-123(191)101(70(12)13)155-122(190)93-40-31-56-156(93)72(15)157/h16,18,20-21,32-33,65-71,74-93,101H,1,17,19,22-31,34-64,125-128H2,2-15H3,(H2,129,158)(H2,130,159)(H2,131,170)(H,135,172)(H,136,182)(H,137,180)(H,138,178)(H,139,179)(H,140,183)(H,141,187)(H,142,173)(H,143,174)(H,144,184)(H,145,188)(H,146,189)(H,147,171)(H,148,176)(H,149,175)(H,150,177)(H,151,181)(H,152,185)(H,153,186)(H,154,191)(H,155,190)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,132,133,134)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332672
PNG
(CHEMBL1632435)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C120H206N32O37/c1-16-17-18-30-70(133-108(178)78(39-45-93(160)161)143-117(187)87(60-96(166)167)149-115(185)85(58-65(10)11)150-119(189)97(66(12)13)151-118(188)88-35-28-53-152(88)68(15)153)101(171)136-74(34-27-52-130-120(128)129)103(173)139-77(38-44-92(158)159)107(177)135-73(33-22-26-51-124)105(175)146-84(57-64(8)9)114(184)148-86(59-90(126)155)116(186)142-79(40-46-94(162)163)109(179)140-80(41-47-95(164)165)110(180)147-83(56-63(6)7)113(183)141-76(37-43-91(156)157)100(170)131-67(14)99(169)144-81(54-61(2)3)112(182)137-71(31-20-24-49-122)102(172)138-75(36-42-89(125)154)106(176)134-72(32-21-25-50-123)104(174)145-82(55-62(4)5)111(181)132-69(98(127)168)29-19-23-48-121/h16,61-67,69-88,97H,1,17-60,121-124H2,2-15H3,(H2,125,154)(H2,126,155)(H2,127,168)(H,131,170)(H,132,181)(H,133,178)(H,134,176)(H,135,177)(H,136,171)(H,137,182)(H,138,172)(H,139,173)(H,140,179)(H,141,183)(H,142,186)(H,143,187)(H,144,169)(H,145,174)(H,146,175)(H,147,180)(H,148,184)(H,149,185)(H,150,189)(H,151,188)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H4,128,129,130)/t67-,69-,70+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,97-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332671
PNG
(CHEMBL1632434)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCC=C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H206N32O37/c1-14-15-16-20-34-74(105(175)136-73(102(131)172)33-21-25-52-125)137-106(176)75(35-22-26-53-126)138-110(180)79(40-46-93(129)158)142-107(177)76(36-23-27-54-127)140-115(185)85(58-65(2)3)148-103(173)70(12)135-104(174)80(41-47-95(160)161)145-116(186)86(59-66(4)5)150-113(183)83(44-50-98(166)167)144-112(182)82(43-49-97(164)165)146-120(190)90(63-94(130)159)152-117(187)87(60-67(6)7)149-109(179)77(37-24-28-55-128)139-111(181)81(42-48-96(162)163)143-108(178)78(38-29-56-134-124(132)133)141-119(189)89(62-72-31-18-17-19-32-72)151-114(184)84(45-51-99(168)169)147-121(191)91(64-100(170)171)153-118(188)88(61-68(8)9)154-123(193)101(69(10)11)155-122(192)92-39-30-57-156(92)71(13)157/h14,17-19,31-32,65-70,73-92,101H,1,15-16,20-30,33-64,125-128H2,2-13H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,175)(H,137,176)(H,138,180)(H,139,181)(H,140,185)(H,141,189)(H,142,177)(H,143,178)(H,144,182)(H,145,186)(H,146,190)(H,147,191)(H,148,173)(H,149,179)(H,150,183)(H,151,184)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t70-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332670
PNG
(CHEMBL1632433)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H205N31O37/c1-16-17-18-22-34-74(107(176)147-85(57-65(4)5)114(183)135-73(102(130)171)33-23-26-51-125)136-109(178)78(39-45-93(128)157)140-105(174)75(35-24-27-52-126)138-115(184)84(56-64(2)3)146-103(172)70(14)134-104(173)79(40-46-95(159)160)143-116(185)86(58-66(6)7)149-112(181)82(43-49-98(165)166)142-111(180)81(42-48-97(163)164)144-120(189)90(62-94(129)158)151-117(186)87(59-67(8)9)148-108(177)76(36-25-28-53-127)137-110(179)80(41-47-96(161)162)141-106(175)77(37-29-54-133-124(131)132)139-119(188)89(61-72-31-20-19-21-32-72)150-113(182)83(44-50-99(167)168)145-121(190)91(63-100(169)170)152-118(187)88(60-68(10)11)153-123(192)101(69(12)13)154-122(191)92-38-30-55-155(92)71(15)156/h16,19-21,31-32,64-70,73-92,101H,1,17-18,22-30,33-63,125-127H2,2-15H3,(H2,128,157)(H2,129,158)(H2,130,171)(H,134,173)(H,135,183)(H,136,178)(H,137,179)(H,138,184)(H,139,188)(H,140,174)(H,141,175)(H,142,180)(H,143,185)(H,144,189)(H,145,190)(H,146,172)(H,147,176)(H,148,177)(H,149,181)(H,150,182)(H,151,186)(H,152,187)(H,153,192)(H,154,191)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,131,132,133)/t70-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332669
PNG
(CHEMBL1632432)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H206N32O37/c1-14-15-16-20-34-74(105(175)138-75(35-22-26-53-126)106(176)142-79(40-46-93(129)158)110(180)139-76(36-23-27-54-127)108(178)148-85(58-65(2)3)115(185)136-73(102(131)172)33-21-25-52-125)137-103(173)70(12)135-104(174)80(41-47-95(160)161)145-116(186)86(59-66(4)5)150-113(183)83(44-50-98(166)167)144-112(182)82(43-49-97(164)165)146-120(190)90(63-94(130)159)152-117(187)87(60-67(6)7)149-109(179)77(37-24-28-55-128)140-111(181)81(42-48-96(162)163)143-107(177)78(38-29-56-134-124(132)133)141-119(189)89(62-72-31-18-17-19-32-72)151-114(184)84(45-51-99(168)169)147-121(191)91(64-100(170)171)153-118(188)88(61-68(8)9)154-123(193)101(69(10)11)155-122(192)92-39-30-57-156(92)71(13)157/h14,17-19,31-32,65-70,73-92,101H,1,15-16,20-30,33-64,125-128H2,2-13H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,185)(H,137,173)(H,138,175)(H,139,180)(H,140,181)(H,141,189)(H,142,176)(H,143,177)(H,144,182)(H,145,186)(H,146,190)(H,147,191)(H,148,178)(H,149,179)(H,150,183)(H,151,184)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t70-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332668
PNG
(CHEMBL1632431)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H206N32O37/c1-14-15-16-20-34-74(105(175)143-80(41-47-95(160)161)104(174)135-70(12)103(173)148-85(58-65(2)3)116(186)140-75(35-22-26-53-126)106(176)142-79(40-46-93(129)158)110(180)138-76(36-23-27-54-127)108(178)149-86(59-66(4)5)115(185)136-73(102(131)172)33-21-25-52-125)137-112(182)82(43-49-97(164)165)145-113(183)83(44-50-98(166)167)146-120(190)90(63-94(130)159)152-117(187)87(60-67(6)7)150-109(179)77(37-24-28-55-128)139-111(181)81(42-48-96(162)163)144-107(177)78(38-29-56-134-124(132)133)141-119(189)89(62-72-31-18-17-19-32-72)151-114(184)84(45-51-99(168)169)147-121(191)91(64-100(170)171)153-118(188)88(61-68(8)9)154-123(193)101(69(10)11)155-122(192)92-39-30-57-156(92)71(13)157/h14,17-19,31-32,65-70,73-92,101H,1,15-16,20-30,33-64,125-128H2,2-13H3,(H2,129,158)(H2,130,159)(H2,131,172)(H,135,174)(H,136,185)(H,137,182)(H,138,180)(H,139,181)(H,140,186)(H,141,189)(H,142,176)(H,143,175)(H,144,177)(H,145,183)(H,146,190)(H,147,191)(H,148,173)(H,149,178)(H,150,179)(H,151,184)(H,152,187)(H,153,188)(H,154,193)(H,155,192)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H4,132,133,134)/t70-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Citation and Details
More data for this
Ligand-Target Pair
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