BDBM8597 (3-Pyridylmethylene)indane 19a::3-{[(1E)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine

SMILES: CCOc1ccc2\C(CCc2c1)=C\c1cccnc1

InChI Key: InChIKey=PXXLKRIIKURDBT-GXDHUFHOSA-N

Data: 5 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 5 hits for monomerid = 8597   

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM8597 ((3-Pyridylmethylene)indane 19a | 3-{[(1E)-5-ethoxy...) Show SMILES CCOc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(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	2.37E+3	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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM8597 ((3-Pyridylmethylene)indane 19a | 3-{[(1E)-5-ethoxy...) Show SMILES CCOc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(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	79	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 19A1 (Homo sapiens (Human))	BDBM8597 ((3-Pyridylmethylene)indane 19a | 3-{[(1E)-5-ethoxy...) Show SMILES CCOc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.08E+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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM8597 ((3-Pyridylmethylene)indane 19a | 3-{[(1E)-5-ethoxy...) Show SMILES CCOc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.08E+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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM8597 ((3-Pyridylmethylene)indane 19a | 3-{[(1E)-5-ethoxy...) Show SMILES CCOc1ccc2\C(CCc2c1)=C\c1cccnc1 Show InChI InChI=1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.08E+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