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Target
Cytochrome P450 2C19
Ligand
BDBM50526225
Substrate
n/a
Meas. Tech.
ChEMBL_1899433 (CHEMBL4401548)
IC50
22000±n/a nM
Citation
 Francis, S; Croft, D; Schüttelkopf, AW; Parry, C; Pugliese, A; Cameron, K; Claydon, S; Drysdale, M; Gardner, C; Gohlke, A; Goodwin, G; Gray, CH; Konczal, J; McDonald, L; Mezna, M; Pannifer, A; Paul, NR; Machesky, L; McKinnon, H; Bower, J Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg Med Chem Lett 29:1023-1029 (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:
BDBM50526225
Synonyms:
CHEMBL4452711
Type:
Small organic molecule
Emp. Form.:
C24H22Cl2N6O2
Mol. Mass.:
497.376
SMILES:
Clc1ccc(Cn2cc(C(=O)Nc3ccncc3)c3n(ncc3c2=O)C2CCNCC2)cc1Cl
Structure:
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