BDBM50527963 CHEMBL4557940

SMILES: OC(=O)CCCCCCCNn1nnc2ccccc12

InChI Key: InChIKey=XRQULSHHDALTQA-UHFFFAOYSA-N

Data: 1 KI  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 29 hits for monomerid = 50527963   

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 4Z1 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	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 1A (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	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 2D6 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.26E+5	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
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+4	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 2C8 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+4	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 2C9 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	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	3.30E+5	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+5	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)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+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 incub...				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)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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 4F3 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+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 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
Phylloquinone omega-hydroxylase CYP4F2 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+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 4F12 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+4	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 4F12 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+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 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
Cytochrome P450 4F3 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.47E+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 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 4F8 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	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
CYP3A-M (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+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 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 4A11 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+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 4F3 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.13E+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 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
Phylloquinone omega-hydroxylase CYP4F2 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+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 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 4A11 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+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 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
Cytochrome P450 4F3 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+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 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 2B6 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.59E+5	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 2C9 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	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	3.43E+5	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
CYP3A-M (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+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 2C19 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.46E+5	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 4F8 (Homo sapiens)	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+4	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))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.14E+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 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 2C8 (Homo sapiens (Human))	BDBM50527963 (CHEMBL4557940) Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12 Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.06E+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 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