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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50158993'   
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


(MOUSE)		BDBM50158993
PNG
(CHEMBL437289 | Sauvagine derivative)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)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](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C204H348N56O62S/c1-29-104(19)157(251-180(299)127(65-74-154(277)278)239-195(314)158(105(20)30-2)253-181(300)128(75-85-323-28)236-171(290)116(51-38-42-79-208)225-172(291)117(52-43-80-219-203(215)216)229-182(301)129(86-98(7)8)242-186(305)133(90-102(15)16)247-196(315)159(106(21)31-3)252-179(298)123(60-69-146(212)266)237-192(311)140-54-45-83-259(140)200(319)138(91-103(17)18)249-189(308)136(94-155(279)280)248-197(316)160(107(22)32-4)254-191(310)139(97-261)250-198(317)161(108(23)33-5)255-193(312)141-55-46-84-260(141)201(320)142-56-47-82-258(142)150(270)96-221-166(285)119-61-70-149(269)224-119)194(313)238-126(64-73-153(275)276)178(297)228-114(49-36-40-77-206)169(288)233-122(59-68-145(211)265)175(294)235-125(63-72-152(273)274)177(296)227-115(50-37-41-78-207)170(289)234-124(62-71-151(271)272)176(295)226-113(48-35-39-76-205)168(287)232-121(58-67-144(210)264)174(293)231-120(57-66-143(209)263)167(286)223-110(25)164(283)222-111(26)165(284)240-134(92-147(213)267)188(307)245-135(93-148(214)268)187(306)230-118(53-44-81-220-204(217)218)173(292)241-130(87-99(9)10)183(302)243-131(88-100(11)12)184(303)244-132(89-101(13)14)185(304)246-137(95-156(281)282)190(309)257-163(112(27)262)199(318)256-162(202(321)322)109(24)34-6/h98-142,157-163,261-262H,29-97,205-208H2,1-28H3,(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H2,213,267)(H2,214,268)(H,221,285)(H,222,283)(H,223,286)(H,224,269)(H,225,291)(H,226,295)(H,227,296)(H,228,297)(H,229,301)(H,230,306)(H,231,293)(H,232,287)(H,233,288)(H,234,289)(H,235,294)(H,236,290)(H,237,311)(H,238,313)(H,239,314)(H,240,284)(H,241,292)(H,242,305)(H,243,302)(H,244,303)(H,245,307)(H,246,304)(H,247,315)(H,248,316)(H,249,308)(H,250,317)(H,251,299)(H,252,298)(H,253,300)(H,254,310)(H,255,312)(H,256,318)(H,257,309)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,321,322)(H4,215,216,219)(H4,217,218,220)/t104-,105-,106-,107-,108-,109-,110-,111-,112+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,157-,158-,159-,160-,161-,162-,163-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 707n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro effective concentration for mouse corticotropin releasing factor 1 receptor

J Med Chem 48: 262-5 (2005)


Article DOI: 10.1021/jm049490m
BindingDB Entry DOI: 10.7270/Q2WH2PG5
More data for this
Ligand-Target Pair