BDBM50293436 2-(4-chlorobenzylidene)cyclopentyl ethyl ether::CHEMBL538612

SMILES: CCOC1CCC\C1=C/c1ccc(Cl)cc1

InChI Key: InChIKey=VORGMCXCJIDOMV-ZRDIBKRKSA-N

Data: 3 KI

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 3 hits for monomerid = 50293436   

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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50293436 (2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...) Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1 Show InChI InChI=1S/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21				Eur J Med Chem 44: 2563-71 (2009) Article DOI: 10.1016/j.ejmech.2009.01.028 BindingDB Entry DOI: 10.7270/Q2319VW9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50293436 (2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...) Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1 Show InChI InChI=1S/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21				Eur J Med Chem 44: 2563-71 (2009) Article DOI: 10.1016/j.ejmech.2009.01.028 BindingDB Entry DOI: 10.7270/Q2319VW9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50293436 (2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...) Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1 Show InChI InChI=1S/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21				Eur J Med Chem 44: 2563-71 (2009) Article DOI: 10.1016/j.ejmech.2009.01.028 BindingDB Entry DOI: 10.7270/Q2319VW9
					More data for this Ligand-Target Pair