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Target
Cytochrome P450 2C9
Ligand
BDBM50402074
Substrate
n/a
Meas. Tech.
ChEMBL_887147 (CHEMBL2214827)
IC50
>10000±n/a nM
Citation
 Labadie, S; Dragovich, PS; Barrett, K; Blair, WS; Bergeron, P; Chang, C; Deshmukh, G; Eigenbrot, C; Ghilardi, N; Gibbons, P; Hurley, CA; Johnson, A; Kenny, JR; Kohli, PB; Kulagowski, JJ; Liimatta, M; Lupardus, PJ; Mendonca, R; Murray, JM; Pulk, R; Shia, S; Steffek, M; Ubhayakar, S; Ultsch, M; van Abbema, A; Ward, S; Zak, M Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2. Bioorg Med Chem Lett 22:7627-33 (2012) [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:
BDBM50402074
Synonyms:
CHEMBL2206059 | US10112907, Example 00024 | US10766894, Compound TABLE 1.9 | US11203595, TABLE 1.9
Type:
Small organic molecule
Emp. Form.:
C17H21N5O2S
Mol. Mass.:
359.446
SMILES:
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
Structure:
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