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Target
Cytochrome P450 3A4
Ligand
BDBM257207
Substrate
n/a
Meas. Tech.
ChEMBL_1660520 (CHEMBL4010132)
IC50
>50000±n/a nM
Citation
 Scott, JD; DeMong, DE; Greshock, TJ; Basu, K; Dai, X; Harris, J; Hruza, A; Li, SW; Lin, SI; Liu, H; Macala, MK; Hu, Z; Mei, H; Zhang, H; Walsh, P; Poirier, M; Shi, ZC; Xiao, L; Agnihotri, G; Baptista, MA; Columbus, J; Fell, MJ; Hyde, LA; Kuvelkar, R; Lin, Y; Mirescu, C; Morrow, JA; Yin, Z; Zhang, X; Zhou, X; Chang, RK; Embrey, MW; Sanders, JM; Tiscia, HE; Drolet, RE; Kern, JT; Sur, SM; Renger, JJ; Bilodeau, MT; Kennedy, ME; Parker, EM; Stamford, AW; Nargund, R; McCauley, JA; Miller, MW Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J Med Chem 60:2983-2992 (2017) [PubMed]  Article 
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:
BDBM257207
Synonyms:
US9493440, 51
Type:
Small organic molecule
Emp. Form.:
C21H25N5O2
Mol. Mass.:
379.4555
SMILES:
C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Structure:
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