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Target
Cytochrome P450 2C9
Ligand
BDBM50431134
Substrate
n/a
Meas. Tech.
ChEMBL_948336 (CHEMBL2341170)
IC50
30000±n/a nM
Citation
 Yin, Y; Lin, L; Ruiz, C; Khan, S; Cameron, MD; Grant, W; Pocas, J; Eid, N; Park, H; Schröter, T; Lograsso, PV; Feng, Y Synthesis and biological evaluation of urea derivatives as highly potent and selective rho kinase inhibitors. J Med Chem 56:3568-81 (2013) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50431134
Synonyms:
CHEMBL2332068
Type:
Small organic molecule
Emp. Form.:
C22H27N5O2
Mol. Mass.:
393.4821
SMILES:
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Structure:
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