null

SMILES: COc1ccc(CCNc2nc3cc(C)ccc3c(=O)n2C)cc1

InChI Key: InChIKey=QCEWNIRYMBRBDO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50192920   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192920 (CHEMBL3975000) Show SMILES COc1ccc(CCNc2nc3cc(C)ccc3c(=O)n2C)cc1 Show InChI InChI=1S/C19H21N3O2/c1-13-4-9-16-17(12-13)21-19(22(2)18(16)23)20-11-10-14-5-7-15(24-3)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...				Bioorg Med Chem Lett 26: 5290-5299 (2016) Article DOI: 10.1016/j.bmcl.2016.09.043 BindingDB Entry DOI: 10.7270/Q2H70HS6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192920 (CHEMBL3975000) Show SMILES COc1ccc(CCNc2nc3cc(C)ccc3c(=O)n2C)cc1 Show InChI InChI=1S/C19H21N3O2/c1-13-4-9-16-17(12-13)21-19(22(2)18(16)23)20-11-10-14-5-7-15(24-3)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 6-beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated ...				Bioorg Med Chem Lett 26: 5290-5299 (2016) Article DOI: 10.1016/j.bmcl.2016.09.043 BindingDB Entry DOI: 10.7270/Q2H70HS6
					More data for this Ligand-Target Pair