BDBM50527962 CHEMBL4442292

SMILES: OC(=O)CCCCCNn1nnc2ccccc12

InChI Key: InChIKey=ORPGHKGCVVGSIW-UHFFFAOYSA-N

Data: 28 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50527962   

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 4F8 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate after 10 mins in pres...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate preincubated with NADPH for 30 mins followed by substrate additio...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate preincubated with NADPH for 30 mins followed by substrate additi...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate after 10 mins by UPLC-MS/MS analysis				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate after 10 mins by UPLC-MS/MS analysis				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
CYP3A-M (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate after 10 mins by UPLC-MS/MS analysis				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate preincubated with NADPH for 30 mins followed by substrate addition...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate preincubated with NADPH for 30 mins followed by substrate a...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4Z1 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate incub...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4A11 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate after 10 mins in presence of NADPH b...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Phylloquinone omega-hydroxylase CYP4F2 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADPH...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4F3 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADP...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4F12 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate after 10 mins in presence of NADPH b...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Phylloquinone omega-hydroxylase CYP4F2 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 min...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4F3 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mi...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4F12 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate preincubated with NADPH for 30 mins ...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4F8 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate preincubated with NAD...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4F3 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADP...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate after 10 mins by UPLC-MS/MS analysis				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate preincubated with NADPH for 30 mins followed by substrate additi...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
CYP3A-M (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate preincubated with NADPH for 30 mins followed by substrate additi...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4F3 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mi...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.79E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate after 10 mins by UPLC-MS/MS analysis				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate after 10 mins by UPLC-MS/MS analysis				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate preincubated with NADPH for 30 mins followed by substrate a...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4Z1 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate prein...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 4A11 (Homo sapiens)	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate preincubated with NADPH for 30 mins ...				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50527962 (CHEMBL4442292) Show SMILES OC(=O)CCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate after 10 mins by UPLC-MS/MS analysis				J Med Chem 63: 4824-4836 (2020) Article DOI: 10.1021/acs.jmedchem.0c00101
					More data for this Ligand-Target Pair