Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50074462
Substrate
n/a
Meas. Tech.
ChEMBL_51114 (CHEMBL664960)
Ki
7.6±n/a nM
Citation
 Chorvat, RJ; Bakthavatchalam, R; Beck, JP; Gilligan, PJ; Wilde, RG; Cocuzza, AJ; Hobbs, FW; Cheeseman, RS; Curry, M; Rescinito, JP; Krenitsky, P; Chidester, D; Yarem, JA; Klaczkiewicz, JD; Hodge, CN; Aldrich, PE; Wasserman, ZR; Fernandez, CH; Zaczek, R; Fitzgerald, LW; Huang, SM; Shen, HL; Wong, YN; Chien, BM; Arvanitis, A Synthesis, corticotropin-releasing factor receptor binding affinity, and pharmacokinetic properties of triazolo-, imidazo-, and pyrrolopyrimidines and -pyridines. J Med Chem 42:833-48 (1999) [PubMed]  Article 
Target
Name:
Corticotropin-releasing factor receptor 1
Synonyms:
CRF-R | CRF-R2 Alpha | CRF1 | CRFR | CRFR1 | CRFR1_HUMAN | CRH-R 1 | CRHR | CRHR1 | Corticotropin releasing factor receptor 1 | Corticotropin-releasing factor receptor 1 (CRF-1) | Corticotropin-releasing factor receptor 1 (CRF1) | Corticotropin-releasing hormone receptor 1
Type:
Enzyme
Mol. Mass.:
50744.31
Organism:
Homo sapiens (Human)
Description:
P34998
Residue:
444
Sequence:
MGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
  
Inhibitor
Name:
BDBM50074462
Synonyms:
(1-Ethyl-pentyl)-[5-methyl-3-(2,4,6-trimethyl-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-amine | CHEMBL169979
Type:
Small organic molecule
Emp. Form.:
C21H30N6
Mol. Mass.:
366.5031
SMILES:
CCCCC(CC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(8.12,-8.03,;8.12,-6.47,;9.45,-5.7,;9.45,-4.16,;10.78,-3.39,;10.78,-1.84,;9.45,-1.07,;12.12,-4.16,;12.12,-5.7,;10.78,-6.47,;10.78,-8.01,;9.43,-8.78,;12.12,-8.78,;13.45,-8.01,;14.91,-8.48,;15.8,-7.23,;14.91,-6,;13.45,-6.47,;15.24,-9.99,;16.69,-10.46,;17.83,-9.43,;17.02,-11.95,;15.89,-13,;16.22,-14.5,;14.42,-12.51,;14.09,-11.02,;12.62,-10.55,)|
Structure:
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