Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM26261
Substrate
US9278914, CEC
Meas. Tech.
In Vitro CYP Inhibition Assay
Temperature
310.15±n/a K
IC50
>2.0e+4±n/a nM
Comments
extracted
Citation
 Dalton, JT; Miller, DD; Kearbey, JD SARMs and method of use thereof US Patent  US9278914 Publication Date 3/8/2016 
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:
BDBM26261
Synonyms:
(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide | C-31 | CHEMBL512283 | US9278914, S-II
Type:
Small organic molecule
Emp. Form.:
C18H13ClF4N2O3
Mol. Mass.:
416.754
SMILES:
C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Structure:
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Substrate
Name:
BDBM189323
Synonyms:
US9173935, CEC
Type:
Substrate
Emp. Form.:
C12H9NO3
Mol. Mass.:
215.2048
SMILES:
CCOc1ccc2cc(C#N)c(=O)oc2c1
Structure:
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