Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50340212
Substrate
n/a
Meas. Tech.
ChEMBL_741365 (CHEMBL1764891)
IC50
3800±n/a nM
Citation
 Aso, K; Kobayashi, K; Mochizuki, M; Kanzaki, N; Sako, Y; Yano, T Discovery of pyrrolo[2,3-d]pyrimidin-4-ones as corticotropin-releasing factor 1 receptor antagonists with a carbonyl-based hydrogen bonding acceptor. Bioorg Med Chem Lett 21:2365-71 (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:
BDBM50340212
Synonyms:
5-mesityl-3,7-dimethyl-2-(piperidin-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one | CHEMBL1760256
Type:
Small organic molecule
Emp. Form.:
C22H28N4O
Mol. Mass.:
364.4839
SMILES:
Cc1cc(C)c(-c2cn(C)c3nc(N4CCCCC4)n(C)c(=O)c23)c(C)c1 |(.19,-18.78,;-.44,-17.38,;.47,-16.12,;-.16,-14.72,;.74,-13.48,;-1.68,-14.56,;-2.31,-13.16,;-1.4,-11.92,;-2.31,-10.67,;-1.83,-9.2,;-3.77,-11.15,;-5.1,-10.37,;-6.43,-11.15,;-7.77,-10.38,;-7.78,-8.84,;-9.1,-8.08,;-10.44,-8.84,;-10.44,-10.39,;-9.1,-11.16,;-6.43,-12.69,;-7.76,-13.46,;-5.1,-13.45,;-5.1,-14.99,;-3.77,-12.69,;-2.59,-15.81,;-4.13,-15.64,;-1.97,-17.21,)|
Structure:
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