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Target
Cytochrome P450 2C19
Ligand
BDBM50525866
Substrate
n/a
Meas. Tech.
ChEMBL_1898345 (CHEMBL4400380)
IC50
>18000±n/a nM
Citation
 Meng, W; Adam, LP; Behnia, K; Zhao, L; Yang, R; Kopcho, LM; Locke, GA; Taylor, DS; Yin, X; Wexler, RR; Finlay, H Benzothiazole-based compounds as potent endothelial lipase inhibitors. Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50525866
Synonyms:
CHEMBL4438345
Type:
Small organic molecule
Emp. Form.:
C27H28N6O3S
Mol. Mass.:
516.615
SMILES:
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1CC1
Structure:
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