Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 251.3 BDBM8595

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8595 ((3-Pyridylmethylene)tetrahydronaphthalene 13a | 3-...) Show SMILES COc1ccc2\C(CCCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8595 ((3-Pyridylmethylene)tetrahydronaphthalene 13a | 3-...) Show SMILES COc1ccc2\C(CCCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	903	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...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8595 ((3-Pyridylmethylene)tetrahydronaphthalene 13a | 3-...) Show SMILES COc1ccc2\C(CCCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Calcutta Curated by ChEMBL					Assay Description Inhibition of aromatase				Eur J Med Chem 45: 4307-15 (2010) Article DOI: 10.1016/j.ejmech.2010.06.033 BindingDB Entry DOI: 10.7270/Q2MP53GH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8595 ((3-Pyridylmethylene)tetrahydronaphthalene 13a | 3-...) Show SMILES COc1ccc2\C(CCCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-19-16-7-8-17-14(5-2-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	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 [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 48: 1563-75 (2005) Article DOI: 10.1021/jm0492397 BindingDB Entry DOI: 10.7270/Q2SN075F
					More data for this Ligand-Target Pair