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BDBM50153579 CHEMBL3774395

SMILES: CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O

InChI Key: InChIKey=URAOTUAUNTXFLY-UHMMOOIKNA-N

Data: 4 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50153579   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50153579
PNG
(CHEMBL3774395)
Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 2


(Mus musculus)
BDBM50153579
PNG
(CHEMBL3774395)
Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50153579
PNG
(CHEMBL3774395)
Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 2


(Mus musculus)
BDBM50153579
PNG
(CHEMBL3774395)
Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay


J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
CRF2 Beta


(RAT)
BDBM50153579
PNG
(CHEMBL3774395)
Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.770n/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CRF-R2 beta in rat A7r5 cells assessed as inhibition of rat Ucn1 induced cAMP accumulation after 30 mins by radioimmunoassay


J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(MOUSE)
BDBM50153579
PNG
(CHEMBL3774395)
Show SMILES CCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
Show InChI InChI=1/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.440n/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CRF-R1 in mouse AtT-20 cells assessed as inhibition of human CRF induced cAMP accumulation after 30 mins by radioimmunoassay


J Med Chem 59: 854-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00926
BindingDB Entry DOI: 10.7270/Q2WQ05NH
More data for this
Ligand-Target Pair