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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50153497   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50153497
PNG
(CHEMBL3775030)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)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)(CC(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@H](Cc2cnc[nH]2)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(Cc1cccs1)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|
Show InChI InChI=1S/C180H294N52O49S/c1-28-30-45-107(208-157(263)116(55-62-136(241)242)215-160(266)123(74-91(9)10)226-172(278)140(95(17)18)228-158(264)117(56-63-137(243)244)214-152(258)112(50-40-69-197-178(190)191)211-159(265)120(71-88(3)4)220-161(267)122(73-90(7)8)221-165(271)127(78-105-85-193-87-199-105)223-163(269)125(76-103-42-32-31-33-43-103)227-173(279)142(101(24)233)229-169(275)124(75-92(11)12)222-168(274)130(81-139(247)248)204-102(25)234)148(254)200-97(20)144(250)205-110(48-38-67-195-176(186)187)149(255)201-98(21)145(251)207-115(54-61-135(239)240)156(262)216-118(52-59-132(183)236)170(276)231-179(26,82-93(13)14)174(280)203-100(23)147(253)206-113(51-58-131(182)235)155(261)213-114-53-60-134(238)194-66-37-35-47-109(210-164(270)126(77-104-84-192-86-198-104)218-146(252)99(22)202-150(114)256)154(260)225-129(80-133(184)237)167(273)212-111(49-39-68-196-177(188)189)151(257)209-108(46-34-36-65-181)153(259)219-121(72-89(5)6)162(268)224-128(79-106-44-41-70-282-106)166(272)217-119(57-64-138(245)246)171(277)232-180(27,83-94(15)16)175(281)230-141(143(185)249)96(19)29-2/h31-33,41-44,70,84-101,107-130,140-142,233H,28-30,34-40,45-69,71-83,181H2,1-27H3,(H2,182,235)(H2,183,236)(H2,184,237)(H2,185,249)(H,192,198)(H,193,199)(H,194,238)(H,200,254)(H,201,255)(H,202,256)(H,203,280)(H,204,234)(H,205,250)(H,206,253)(H,207,251)(H,208,263)(H,209,257)(H,210,270)(H,211,265)(H,212,273)(H,213,261)(H,214,258)(H,215,266)(H,216,262)(H,217,272)(H,218,252)(H,219,259)(H,220,267)(H,221,271)(H,222,274)(H,223,269)(H,224,268)(H,225,260)(H,226,278)(H,227,279)(H,228,264)(H,229,275)(H,230,281)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)/t96-,97-,98-,99-,100-,101+,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128?,129-,130-,140-,141-,142-,179?,180?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.240n/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)
BDBM50153497
PNG
(CHEMBL3775030)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)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)(CC(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@H](Cc2cnc[nH]2)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(Cc1cccs1)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|
Show InChI InChI=1S/C180H294N52O49S/c1-28-30-45-107(208-157(263)116(55-62-136(241)242)215-160(266)123(74-91(9)10)226-172(278)140(95(17)18)228-158(264)117(56-63-137(243)244)214-152(258)112(50-40-69-197-178(190)191)211-159(265)120(71-88(3)4)220-161(267)122(73-90(7)8)221-165(271)127(78-105-85-193-87-199-105)223-163(269)125(76-103-42-32-31-33-43-103)227-173(279)142(101(24)233)229-169(275)124(75-92(11)12)222-168(274)130(81-139(247)248)204-102(25)234)148(254)200-97(20)144(250)205-110(48-38-67-195-176(186)187)149(255)201-98(21)145(251)207-115(54-61-135(239)240)156(262)216-118(52-59-132(183)236)170(276)231-179(26,82-93(13)14)174(280)203-100(23)147(253)206-113(51-58-131(182)235)155(261)213-114-53-60-134(238)194-66-37-35-47-109(210-164(270)126(77-104-84-192-86-198-104)218-146(252)99(22)202-150(114)256)154(260)225-129(80-133(184)237)167(273)212-111(49-39-68-196-177(188)189)151(257)209-108(46-34-36-65-181)153(259)219-121(72-89(5)6)162(268)224-128(79-106-44-41-70-282-106)166(272)217-119(57-64-138(245)246)171(277)232-180(27,83-94(15)16)175(281)230-141(143(185)249)96(19)29-2/h31-33,41-44,70,84-101,107-130,140-142,233H,28-30,34-40,45-69,71-83,181H2,1-27H3,(H2,182,235)(H2,183,236)(H2,184,237)(H2,185,249)(H,192,198)(H,193,199)(H,194,238)(H,200,254)(H,201,255)(H,202,256)(H,203,280)(H,204,234)(H,205,250)(H,206,253)(H,207,251)(H,208,263)(H,209,257)(H,210,270)(H,211,265)(H,212,273)(H,213,261)(H,214,258)(H,215,266)(H,216,262)(H,217,272)(H,218,252)(H,219,259)(H,220,267)(H,221,271)(H,222,274)(H,223,269)(H,224,268)(H,225,260)(H,226,278)(H,227,279)(H,228,264)(H,229,275)(H,230,281)(H,231,276)(H,232,277)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)/t96-,97-,98-,99-,100-,101+,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128?,129-,130-,140-,141-,142-,179?,180?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/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