Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50084881
Substrate
n/a
Meas. Tech.
ChEMBL_50978 (CHEMBL663521)
Ki
1.6±n/a nM
Citation
 He, L; Gilligan, PJ; Zaczek, R; Fitzgerald, LW; McElroy, J; Shen, HS; Saye, JA; Kalin, NH; Shelton, S; Christ, D; Trainor, G; Hartig, P 4-(1,3-Dimethoxyprop-2-ylamino)-2,7-dimethyl-8-(2, 4-dichlorophenyl)pyrazolo[1,5-a]-1,3,5-triazine: a potent, orally bioavailable CRF(1) receptor antagonist. J Med Chem 43:449-56 (2000) [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:
BDBM50084881
Synonyms:
CHEMBL138154 | [8-(2,4-Dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-(1-propyl-butyl)-amine
Type:
Small organic molecule
Emp. Form.:
C20H25Cl2N5
Mol. Mass.:
406.352
SMILES:
CCCC(CCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(18.94,.92,;17.43,.53,;16.37,1.63,;14.86,1.21,;13.8,2.3,;12.3,1.88,;11.21,2.97,;14.48,-.3,;14,-1.74,;12.52,-2.1,;12.04,-3.54,;10.53,-3.89,;13.1,-4.66,;14.57,-4.34,;15.83,-5.24,;17.08,-4.34,;18.52,-4.82,;16.6,-2.87,;15.06,-2.9,;15.83,-6.78,;14.51,-7.55,;14.51,-9.09,;15.83,-9.86,;15.83,-11.4,;17.17,-9.09,;17.17,-7.55,;18.49,-6.78,)|
Structure:
Search PDB for entries with ligand similarity: