Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM282825
Substrate
n/a
Meas. Tech.
ChEMBL_1838924 (CHEMBL4339057)
IC50
>20000±n/a nM
Citation
 Velaparthi, U; Darne, CP; Warrier, J; Liu, P; Rahaman, H; Augustine-Rauch, K; Parrish, K; Yang, Z; Swanson, J; Brown, J; Dhar, G; Anandam, A; Holenarsipur, VK; Palanisamy, K; Wautlet, BS; Fereshteh, MP; Lippy, J; Tebben, AJ; Sheriff, S; Ruzanov, M; Yan, C; Gupta, A; Gupta, AK; Vetrichelvan, M; Mathur, A; Gelman, M; Singh, R; Kinsella, T; Murtaza, A; Fargnoli, J; Vite, G; Borzilleri, RM Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF?R1 Inhibitor as an Immuno-oncology Agent. ACS Med Chem Lett 11:172-178 (2020) [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:
BDBM282825
Synonyms:
6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H- imidazol-5-yl)imidazo[1,2-b]pyridazine-3-carbonitrile | US10287295, Example 32' | US11352360, Example 32' | US9884868, Example 32'
Type:
Small organic molecule
Emp. Form.:
C18H12ClFN6O
Mol. Mass.:
382.779
SMILES:
OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: