BDBM8891 3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine::CHEMBL206351::Dihydronaphthalene 4::US9271963, 35

SMILES: COc1ccc2C=C(CCc2c1)c1cccnc1

InChI Key: InChIKey=WUTGTMFGCHNUET-UHFFFAOYSA-N

Data: 1 KI  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 9 hits for monomerid = 8891   

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))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	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	814	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from 3H-labeled androstenedione during aromatization. After incubation, the re...				Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB 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	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	578	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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAT DES SAARLANDES US Patent					Assay Description V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	814	n/a	n/a	n/a	n/a	7.4	n/a
UNIVERSITAT DES SAARLANDES US Patent					Assay Description The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to th...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	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))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	578	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				Pharmacol Rev 49: 2222-31 (2006) Article DOI: 10.1021/jm060055x BindingDB Entry DOI: 10.7270/Q2MW2FBS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8891 (3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine |...) Show SMILES COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6| Show InChI InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	37
UNIVERSITAT DES SAARLANDES US Patent					Assay Description V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...				US Patent US9271963 (2016) BindingDB Entry DOI: 10.7270/Q2445KBN
					More data for this Ligand-Target Pair