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51 similar compounds to monomer 50366548

Compile data set for download or QSAR
Wt: 471.5
BDBM17344
Wt: 830.9
BDBM50366424
Wt: 830.9
BDBM50366419
Wt: 907.0
BDBM50366416
Wt: 948.1
BDBM50368433
Wt: 687.7
BDBM50116986
Wt: 1575.8
BDBM59213
Wt: 1030.1
BDBM50000141
Wt: 788.8
BDBM50116988
Wt: 2112.6
BDBM50273354
Wt: 2112.6
BDBM50273355
Wt: 2112.6
BDBM50273356
Wt: 2112.6
BDBM50273357
Wt: 2041.5
BDBM50273358
Wt: 2112.6
BDBM50273359
Displayed 1 to 15 (of 51 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 17344,50366424,50366419,50366416,50368433,50116986,59213,50000141,50116988,50273354,50273355,50273356,50273357,50273358,50273359   
Target/Host
(Institution)
LigandTarget/Host
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
GALR1


(Homo sapiens (Human))
BDBM50273359
PNG
((R)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(94(140)118-73(91(109)137)37-26-30-47-105)120-95(141)74(38-27-31-48-106)119-96(142)76(39-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,142)(H,120,141)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75+,76+,77-,78-,79-,80-,81-,82-,83-,84+,90-/m0/s1
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PubMed
0.900n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273354
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-37-73(91(109)137)118-94(140)74(38-26-30-47-105)119-95(141)75(39-27-31-48-106)120-96(142)76(40-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
Reactome pathway
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273355
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(94(140)118-73(91(109)137)37-26-30-47-105)120-95(141)74(38-27-31-48-106)119-96(142)76(39-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,142)(H,120,141)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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Article
PubMed
3.5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368433
PNG
(CHEMBL1790866 | CHEMBL3349477)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC
Show InChI InChI=1S/C48H69N9O11/c1-7-28(4)42(47(66)55-37(48(67)68-6)22-31-24-50-33-17-12-11-16-32(31)33)56-46(65)39-18-13-19-57(39)25-40(60)34(21-30-14-9-8-10-15-30)52-44(63)36(23-41(49)61)54-43(62)35(20-27(2)3)53-45(64)38(26-58)51-29(5)59/h8-12,14-17,24,27-28,34-40,42,50,58,60H,7,13,18-23,25-26H2,1-6H3,(H2,49,61)(H,51,59)(H,52,63)(H,53,64)(H,54,62)(H,55,66)(H,56,65)/t28-,34+,35+,36+,37+,38+,39?,40-,42+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273356
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(95(141)119-74(38-27-31-48-106)94(140)118-73(91(109)137)37-26-30-47-105)120-96(142)76(39-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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PubMed
6n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273359
PNG
((R)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(94(140)118-73(91(109)137)37-26-30-47-105)120-95(141)74(38-27-31-48-106)119-96(142)76(39-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,142)(H,120,141)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75+,76+,77-,78-,79-,80-,81-,82-,83-,84+,90-/m0/s1
Reactome pathway
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PubMed
15n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273354
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-37-73(91(109)137)118-94(140)74(38-26-30-47-105)119-95(141)75(39-27-31-48-106)120-96(142)76(40-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273357
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-76(96(142)120-75(39-28-32-49-107)95(141)119-74(38-27-31-48-106)94(140)118-73(91(109)137)37-26-30-47-105)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273356
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(95(141)119-74(38-27-31-48-106)94(140)118-73(91(109)137)37-26-30-47-105)120-96(142)76(39-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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28n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
cIAP1-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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30 -10.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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40 -9.98n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273358
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C101H169N23O21/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-84(129)108-49-32-28-39-74(92(136)114-72(88(107)132)36-25-29-46-102)116-93(137)73(37-26-30-47-103)115-94(138)75(38-27-31-48-104)117-100(144)82-40-33-50-124(82)86(131)59-111-91(135)76(51-61(2)3)118-95(139)77(52-62(4)5)119-97(141)79(54-66-42-44-68(127)45-43-66)113-85(130)58-110-89(133)64(8)112-99(143)81(60-125)122-98(142)80(56-83(106)128)120-96(140)78(53-63(6)7)121-101(145)87(65(9)126)123-90(134)70(105)55-67-57-109-71-35-24-23-34-69(67)71/h23-24,34-35,42-45,57,61-65,70,72-82,87,109,125-127H,10-22,25-33,36-41,46-56,58-60,102-105H2,1-9H3,(H2,106,128)(H2,107,132)(H,108,129)(H,110,133)(H,111,135)(H,112,143)(H,113,130)(H,114,136)(H,115,138)(H,116,137)(H,117,144)(H,118,139)(H,119,141)(H,120,140)(H,121,145)(H,122,142)(H,123,134)/t64-,65+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1
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48n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273358
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C101H169N23O21/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-84(129)108-49-32-28-39-74(92(136)114-72(88(107)132)36-25-29-46-102)116-93(137)73(37-26-30-47-103)115-94(138)75(38-27-31-48-104)117-100(144)82-40-33-50-124(82)86(131)59-111-91(135)76(51-61(2)3)118-95(139)77(52-62(4)5)119-97(141)79(54-66-42-44-68(127)45-43-66)113-85(130)58-110-89(133)64(8)112-99(143)81(60-125)122-98(142)80(56-83(106)128)120-96(140)78(53-63(6)7)121-101(145)87(65(9)126)123-90(134)70(105)55-67-57-109-71-35-24-23-34-69(67)71/h23-24,34-35,42-45,57,61-65,70,72-82,87,109,125-127H,10-22,25-33,36-41,46-56,58-60,102-105H2,1-9H3,(H2,106,128)(H2,107,132)(H,108,129)(H,110,133)(H,111,135)(H,112,143)(H,113,130)(H,114,136)(H,115,138)(H,116,137)(H,117,144)(H,118,139)(H,119,141)(H,120,140)(H,121,145)(H,122,142)(H,123,134)/t64-,65+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1
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48n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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50 -9.85n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273355
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(94(140)118-73(91(109)137)37-26-30-47-105)120-95(141)74(38-27-31-48-106)119-96(142)76(39-28-32-49-107)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,142)(H,120,141)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
cIAP2-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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70 -9.66n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50273357
PNG
((S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-76(96(142)120-75(39-28-32-49-107)95(141)119-74(38-27-31-48-106)94(140)118-73(91(109)137)37-26-30-47-105)121-103(149)84-41-34-51-128(84)89(136)61-114-93(139)77(52-63(2)3)122-97(143)78(53-64(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-88(135)60-113-92(138)66(8)115-102(148)83(62-129)126-100(146)82(57-85(108)132)124-98(144)79(54-65(6)7)125-104(150)90(67(9)130)127-101(147)81(117-87(134)59-110-10)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,63-67,73-84,90,110,112,129-131H,11-23,26-34,37-42,47-57,59-62,105-107H2,1-10H3,(H2,108,132)(H2,109,137)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,135)(H,117,134)(H,118,140)(H,119,141)(H,120,142)(H,121,149)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-/m0/s1
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108n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
Human herpesvirus 1 protease


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM59213
PNG
(Pepstatin analog, 1)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N[C@H](C(C)O)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(N)O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C78H122N14O20/c1-9-46(6)65(74(106)91-66(47(7)94)75(107)84-54(38-44(2)3)69(101)87-57(78(111)112)40-50-42-81-52-31-26-25-30-51(50)52)89-68(100)53(35-36-60(79)96)83-72(104)59-32-27-37-92(59)63(99)34-24-19-17-15-13-11-10-12-14-16-18-23-33-62(98)82-58(43-93)71(103)90-67(48(8)95)76(108)88-64(45(4)5)73(105)85-55(41-61(80)97)70(102)86-56(77(109)110)39-49-28-21-20-22-29-49/h20-22,25-26,28-31,42,44-48,53-59,61,64-67,81,93-95,97H,9-19,23-24,27,32-41,43,80H2,1-8H3,(H2,79,96)(H,82,98)(H,83,104)(H,84,107)(H,85,105)(H,86,102)(H,87,101)(H,88,108)(H,89,100)(H,90,103)(H,91,106)(H,109,110)(H,111,112)/t46?,47?,48?,53-,54-,55-,56-,57?,58+,59?,61?,64+,65-,66-,67+/m0/s1
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220n/a 350n/an/an/an/a5.52n/a



Purdue University



Assay Description
The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...


Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273358
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C101H169N23O21/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-84(129)108-49-32-28-39-74(92(136)114-72(88(107)132)36-25-29-46-102)116-93(137)73(37-26-30-47-103)115-94(138)75(38-27-31-48-104)117-100(144)82-40-33-50-124(82)86(131)59-111-91(135)76(51-61(2)3)118-95(139)77(52-62(4)5)119-97(141)79(54-66-42-44-68(127)45-43-66)113-85(130)58-110-89(133)64(8)112-99(143)81(60-125)122-98(142)80(56-83(106)128)120-96(140)78(53-63(6)7)121-101(145)87(65(9)126)123-90(134)70(105)55-67-57-109-71-35-24-23-34-69(67)71/h23-24,34-35,42-45,57,61-65,70,72-82,87,109,125-127H,10-22,25-33,36-41,46-56,58-60,102-105H2,1-9H3,(H2,106,128)(H2,107,132)(H,108,129)(H,110,133)(H,111,135)(H,112,143)(H,113,130)(H,114,136)(H,115,138)(H,116,137)(H,117,144)(H,118,139)(H,119,141)(H,120,140)(H,121,145)(H,122,142)(H,123,134)/t64-,65+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1
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387n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells


J Med Chem 51: 8038-47 (2008)


Article DOI: 10.1021/jm801088x
BindingDB Entry DOI: 10.7270/Q22B8ZXD
More data for this
Ligand-Target Pair
GALR1


(Homo sapiens (Human))
BDBM50273358
PNG
((S)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-1-((S)-1,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C101H169N23O21/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-41-84(129)108-49-32-28-39-74(92(136)114-72(88(107)132)36-25-29-46-102)116-93(137)73(37-26-30-47-103)115-94(138)75(38-27-31-48-104)117-100(144)82-40-33-50-124(82)86(131)59-111-91(135)76(51-61(2)3)118-95(139)77(52-62(4)5)119-97(141)79(54-66-42-44-68(127)45-43-66)113-85(130)58-110-89(133)64(8)112-99(143)81(60-125)122-98(142)80(56-83(106)128)120-96(140)78(53-63(6)7)121-101(145)87(65(9)126)123-90(134)70(105)55-67-57-109-71-35-24-23-34-69(67)71/h23-24,34-35,42-45,57,61-65,70,72-82,87,109,125-127H,10-22,25-33,36-41,46-56,58-60,102-105H2,1-9H3,(H2,106,128)(H2,107,132)(H,108,129)(H,110,133)(H,111,135)(H,112,143)(H,113,130)(H,114,136)(H,115,138)(H,116,137)(H,117,144)(H,118,139)(H,119,141)(H,120,140)(H,121,145)(H,122,142)(H,123,134)/t64-,65+,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1
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387n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Membrane-associated guanylate kinase-related 3


(Homo sapiens (Human))
BDBM50116988
PNG
(AcTQITWV-OH | CHEMBL310546)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C37H56N8O11/c1-8-18(4)29(44-32(50)25(13-14-27(38)49)41-35(53)30(19(5)46)40-21(7)48)34(52)45-31(20(6)47)36(54)42-26(33(51)43-28(17(2)3)37(55)56)15-22-16-39-24-12-10-9-11-23(22)24/h9-12,16-20,25-26,28-31,39,46-47H,8,13-15H2,1-7H3,(H2,38,49)(H,40,48)(H,41,53)(H,42,54)(H,43,51)(H,44,50)(H,45,52)(H,55,56)/t18-,19+,20+,25-,26-,28-,29-,30-,31-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00345-1
BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366419
PNG
(CHEMBL2369710)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366416
PNG
(CHEMBL2369713)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H62N8O9/c1-6-29(4)42(46(62)55-38(49(65)66)25-33-27-51-35-21-14-13-20-34(33)35)56-45(61)39-22-15-23-57(39)48(64)37(26-40(50)59)54-44(60)36(24-28(2)3)53-47(63)43(52-30(5)58)41(31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-14,16-21,27-29,36-39,41-43,51H,6,15,22-26H2,1-5H3,(H2,50,59)(H,52,58)(H,53,63)(H,54,60)(H,55,62)(H,56,61)(H,65,66)/t29-,36-,37-,38-,39-,42-,43-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Membrane-associated guanylate kinase-related 3


(Homo sapiens (Human))
BDBM50116986
PNG
(AcQITWV-OH | CHEMBL2369910)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C33H49N7O9/c1-7-17(4)27(39-29(44)23(36-19(6)42)12-13-25(34)43)31(46)40-28(18(5)41)32(47)37-24(30(45)38-26(16(2)3)33(48)49)14-20-15-35-22-11-9-8-10-21(20)22/h8-11,15-18,23-24,26-28,35,41H,7,12-14H2,1-6H3,(H2,34,43)(H,36,42)(H,37,47)(H,38,45)(H,39,44)(H,40,46)(H,48,49)/t17-,18+,23-,24-,26-,27-,28-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00345-1
BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366419
PNG
(CHEMBL2369710)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366416
PNG
(CHEMBL2369713)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H62N8O9/c1-6-29(4)42(46(62)55-38(49(65)66)25-33-27-51-35-21-14-13-20-34(33)35)56-45(61)39-22-15-23-57(39)48(64)37(26-40(50)59)54-44(60)36(24-28(2)3)53-47(63)43(52-30(5)58)41(31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-14,16-21,27-29,36-39,41-43,51H,6,15,22-26H2,1-5H3,(H2,50,59)(H,52,58)(H,53,63)(H,54,60)(H,55,62)(H,56,61)(H,65,66)/t29-,36-,37-,38-,39-,42-,43-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000141
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C47H71N11O15/c1-10-23(6)38(45(70)54-31(17-34(48)61)42(67)53-32(18-36(63)64)43(68)55-33(47(72)73)15-21(2)3)58-44(69)37(22(4)5)57-46(71)39(25(8)59)56-35(62)20-50-40(65)24(7)51-41(66)30(52-26(9)60)16-27-19-49-29-14-12-11-13-28(27)29/h11-14,19,21-25,30-33,37-39,49,59H,10,15-18,20H2,1-9H3,(H2,48,61)(H,50,65)(H,51,66)(H,52,60)(H,53,67)(H,54,70)(H,55,68)(H,56,62)(H,57,71)(H,58,69)(H,63,64)(H,72,73)/t23-,24+,25-,30+,31+,32+,33+,37+,38+,39+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


J Med Chem 35: 346-50 (1992)


Article DOI: 10.1021/jm00080a021
BindingDB Entry DOI: 10.7270/Q2348JB2
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair