Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM309529
Substrate
n/a
Meas. Tech.
ChEMBL_1707505 (CHEMBL4058738)
IC50
>100000±n/a nM
Citation
 Crosignani, S; Bingham, P; Bottemanne, P; Cannelle, H; Cauwenberghs, S; Cordonnier, M; Dalvie, D; Deroose, F; Feng, JL; Gomes, B; Greasley, S; Kaiser, SE; Kraus, M; Négrerie, M; Maegley, K; Miller, N; Murray, BW; Schneider, M; Soloweij, J; Stewart, AE; Tumang, J; Torti, VR; Van Den Eynde, B; Wythes, M Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J Med Chem 60:9617-9629 (2017) [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:
BDBM309529
Synonyms:
3-(5-fluoro-1H-indol-3- yl)pyrrolidine-2,5-dione | US10945994, Compound 1 | US9603836, Compound 1 | US9603836, Compound 1a | US9949951, 1a
Type:
Small organic molecule
Emp. Form.:
C12H9FN2O2
Mol. Mass.:
232.2105
SMILES:
Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
Structure:
Search PDB for entries with ligand similarity: