Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM131876
Substrate
n/a
Meas. Tech.
Homogeneous Time-Resolved Fluorescence Assay
IC50
21±n/a nM
Citation
 Beattie, D; Bruce, I; Colson, A; Culshaw, AJ; Sharp, T Cyclohexyl amide derivatives as CRF receptor antagonists US Patent  US8835444 Publication Date 9/16/2014 
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:
BDBM131876
Synonyms:
US8835444, 5.1
Type:
Small organic molecule
Emp. Form.:
C22H27ClF3N3O
Mol. Mass.:
441.917
SMILES:
CCc1cc(CC)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:12.15,wD:9.8,(9.87,1.17,;8.78,2.26,;7.29,1.86,;6.82,.39,;5.28,.39,;4.51,-.94,;5.28,-2.27,;4.8,1.86,;3.47,2.63,;2.13,1.86,;.8,2.63,;-.53,1.86,;-.53,.32,;.8,-.45,;2.13,.32,;-1.87,-.45,;-3.2,.32,;-3.2,1.86,;-4.53,-.45,;-5.87,.32,;-7.2,-.45,;-7.2,-1.99,;-5.87,-2.76,;-4.53,-1.99,;-3.2,-2.76,;-8.54,.32,;-9.87,-.45,;-8.54,1.86,;-9.87,1.09,;6.05,2.76,)|
Structure:
Search PDB for entries with ligand similarity: