Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50351379
Substrate
n/a
Meas. Tech.
ChEMBL_764455 (CHEMBL1821007)
IC50
59±n/a nM
Citation
 Saito, T; Obitsu, T; Kondo, T; Matsui, T; Nagao, Y; Kusumi, K; Matsumura, N; Ueno, S; Kishi, A; Katsumata, S; Kagamiishi, Y; Nakai, H; Toda, M 6,7-Dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidines and their derivatives as novel corticotropin-releasing factor 1 receptor antagonists. Bioorg Med Chem 19:5432-45 (2011) [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:
BDBM50351379
Synonyms:
CHEMBL1819069
Type:
Small organic molecule
Emp. Form.:
C23H27F3N4O
Mol. Mass.:
432.4819
SMILES:
CCC(CC)Nc1c2CCCc2nc2c(c(nn12)C(F)(F)F)-c1ccc(OC)cc1C |(32.15,-30.33,;30.8,-31.08,;30.77,-32.62,;32.09,-33.41,;33.44,-32.66,;29.43,-33.36,;29.4,-34.9,;28.05,-35.64,;26.59,-35.14,;25.66,-36.37,;26.54,-37.63,;28.02,-37.19,;29.34,-37.98,;30.7,-37.23,;32.15,-37.72,;33.07,-36.49,;32.18,-35.23,;30.72,-35.69,;34.61,-36.5,;35.36,-37.85,;35.4,-35.18,;36.14,-36.5,;32.61,-39.19,;31.57,-40.32,;32.02,-41.79,;33.53,-42.12,;33.99,-43.59,;32.94,-44.73,;34.57,-40.98,;34.11,-39.52,;35.15,-38.38,)|
Structure:
Search PDB for entries with ligand similarity: