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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 86191   
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))
BDBM86191
PNG
(CAS_0 | D-PheCRF | NSC_0)
Show SMILES CCCC[C@H](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](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(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)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C159H266N48O44/c1-24-28-40-94(186-139(234)104(50-57-120(215)216)194-145(240)110(67-81(11)12)201-152(247)123(83(15)16)204-141(236)105(51-58-121(217)218)192-135(230)97(45-37-63-176-158(170)171)187-144(239)108(65-79(7)8)198-146(241)109(66-80(9)10)199-147(242)112(70-92-74-173-77-178-92)196-130(225)93(161)68-90-38-31-30-32-39-90)131(226)179-86(19)126(221)183-95(43-35-61-174-156(166)167)132(227)180-87(20)127(222)185-103(49-56-119(213)214)138(233)191-102(48-55-117(164)211)140(235)197-107(64-78(5)6)143(238)182-88(21)128(223)184-101(47-54-116(163)210)137(232)190-100(46-53-115(162)209)133(228)181-89(22)129(224)195-111(69-91-73-172-76-177-91)148(243)202-114(75-208)150(245)200-113(71-118(165)212)149(244)188-96(44-36-62-175-157(168)169)134(229)189-99(42-33-34-60-160)151(246)207-159(23,72-82(13)14)155(251)203-98(41-29-25-2)136(231)193-106(52-59-122(219)220)142(237)205-124(84(17)26-3)153(248)206-125(154(249)250)85(18)27-4/h30-32,38-39,73-74,76-89,93-114,123-125,208H,24-29,33-37,40-72,75,160-161H2,1-23H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,212)(H,172,177)(H,173,178)(H,179,226)(H,180,227)(H,181,228)(H,182,238)(H,183,221)(H,184,223)(H,185,222)(H,186,234)(H,187,239)(H,188,244)(H,189,229)(H,190,232)(H,191,233)(H,192,230)(H,193,231)(H,194,240)(H,195,224)(H,196,225)(H,197,235)(H,198,241)(H,199,242)(H,200,245)(H,201,247)(H,202,243)(H,203,251)(H,204,236)(H,205,237)(H,206,248)(H,207,246)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,249,250)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)/t84-,85-,86-,87-,88-,89-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-,159-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM86191
PNG
(CAS_0 | D-PheCRF | NSC_0)
Show SMILES CCCC[C@H](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](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(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)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C159H266N48O44/c1-24-28-40-94(186-139(234)104(50-57-120(215)216)194-145(240)110(67-81(11)12)201-152(247)123(83(15)16)204-141(236)105(51-58-121(217)218)192-135(230)97(45-37-63-176-158(170)171)187-144(239)108(65-79(7)8)198-146(241)109(66-80(9)10)199-147(242)112(70-92-74-173-77-178-92)196-130(225)93(161)68-90-38-31-30-32-39-90)131(226)179-86(19)126(221)183-95(43-35-61-174-156(166)167)132(227)180-87(20)127(222)185-103(49-56-119(213)214)138(233)191-102(48-55-117(164)211)140(235)197-107(64-78(5)6)143(238)182-88(21)128(223)184-101(47-54-116(163)210)137(232)190-100(46-53-115(162)209)133(228)181-89(22)129(224)195-111(69-91-73-172-76-177-91)148(243)202-114(75-208)150(245)200-113(71-118(165)212)149(244)188-96(44-36-62-175-157(168)169)134(229)189-99(42-33-34-60-160)151(246)207-159(23,72-82(13)14)155(251)203-98(41-29-25-2)136(231)193-106(52-59-122(219)220)142(237)205-124(84(17)26-3)153(248)206-125(154(249)250)85(18)27-4/h30-32,38-39,73-74,76-89,93-114,123-125,208H,24-29,33-37,40-72,75,160-161H2,1-23H3,(H2,162,209)(H2,163,210)(H2,164,211)(H2,165,212)(H,172,177)(H,173,178)(H,179,226)(H,180,227)(H,181,228)(H,182,238)(H,183,221)(H,184,223)(H,185,222)(H,186,234)(H,187,239)(H,188,244)(H,189,229)(H,190,232)(H,191,233)(H,192,230)(H,193,231)(H,194,240)(H,195,224)(H,196,225)(H,197,235)(H,198,241)(H,199,242)(H,200,245)(H,201,247)(H,202,243)(H,203,251)(H,204,236)(H,205,237)(H,206,248)(H,207,246)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,249,250)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)/t84-,85-,86-,87-,88-,89-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-,159-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 57-69 (2003)


Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G
More data for this
Ligand-Target Pair