Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50231925
Substrate
n/a
Meas. Tech.
ChEMBL_462097 (CHEMBL944929)
Ki
7±n/a nM
Citation
 Yoon, T; De Lombaert, S; Brodbeck, R; Gulianello, M; Chandrasekhar, J; Horvath, RF; Ge, P; Kershaw, MT; Krause, JE; Kehne, J; Hoffman, D; Doller, D; Hodgetts, KJ The design, synthesis and structure-activity relationships of 1-aryl-4-aminoalkylisoquinolines: a novel series of CRF-1 receptor antagonists. Bioorg Med Chem Lett 18:891-6 (2008) [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:
BDBM50231925
Synonyms:
CHEMBL253914 | N,N-bis(cyclopropylmethyl)-1-(2-methoxy-4,6-dimethylphenyl)-3-methylisoquinolin-4-amine
Type:
Small organic molecule
Emp. Form.:
C27H32N2O
Mol. Mass.:
400.5558
SMILES:
COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12 |(33.37,-4.76,;32.04,-3.99,;30.71,-4.77,;30.71,-6.3,;29.38,-7.08,;29.38,-8.62,;28.04,-6.31,;28.04,-4.77,;26.71,-4,;29.38,-4,;29.37,-2.47,;28.04,-1.7,;28.04,-.15,;26.71,.62,;29.37,.62,;29.36,2.16,;30.69,2.93,;30.68,4.47,;31.45,5.8,;29.91,5.8,;28.02,2.92,;28.02,4.46,;28.78,5.79,;27.24,5.79,;30.71,-.15,;32.03,.63,;33.37,-.13,;33.38,-1.68,;32.03,-2.45,;30.71,-1.69,)|
Structure:
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