BDBM50272368 4-(6-Methoxynaphthalen-2-yl)isoquinoline::CHEMBL500394

SMILES: COc1ccc2cc(ccc2c1)-c1cncc2ccccc12

InChI Key: InChIKey=SGBOBLSELUHWRG-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50272368   

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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 expressed in insect microsomes				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 expressed in insect microsomes				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 expressed in insect microsomes				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	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	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 expressed in insect microsomes				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 expressed in insect microsomes				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50272368 (4-(6-Methoxynaphthalen-2-yl)isoquinoline | CHEMBL5...) Show SMILES COc1ccc2cc(ccc2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C20H15NO/c1-22-18-9-8-14-10-16(7-6-15(14)11-18)20-13-21-12-17-4-2-3-5-19(17)20/h2-13H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2B6 expressed in insect microsomes				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair