Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Cytochrome P450 3A4
Ligand
BDBM50315769
Substrate
n/a
Meas. Tech.
ChEMBL_630554 (CHEMBL1108268)
IC50
15000±n/a nM
Citation
Adams, ND; Adams, JL; Burgess, JL; Chaudhari, AM; Copeland, RA; Donatelli, CA; Drewry, DH; Fisher, KE; Hamajima, T; Hardwicke, MA; Huffman, WF; Koretke-Brown, KK; Lai, ZV; McDonald, OB; Nakamura, H; Newlander, KA; Oleykowski, CA; Parrish, CA; Patrick, DR; Plant, R; Sarpong, MA; Sasaki, K; Schmidt, SJ; Silva, DJ; Sutton, D; Tang, J; Thompson, CS; Tummino, PJ; Wang, JC; Xiang, H; Yang, J; Dhanak, D Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase. J Med Chem 53:3973-4001 (2010) [PubMed] Article More Info.:
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
Inhibitor
Name:
BDBM50315769
Synonyms:
3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea | 4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[3-(dimethylaminomethyl)phenyl]-1H-pyrrolo[2,3-b]-pyridine | CHEMBL1090479 | GSK-1070916
Type:
Small organic molecule
Emp. Form.:
C30H33N7O
Mol. Mass.:
507.6293
SMILES:
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Structure:
