BindingDB PrimarySearch

BDBM71545 2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine;2-oxidanylpropane-1,2,3-tricarboxylic acid::2-[4-[(Z)-2-chloro-1,2-diphenyl-vinyl]phenoxy]ethyl-diethyl-amine;citric acid::2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid::CHEMBL167779::Clomiphene citrate salt::Clomiphene, 2::MLS001332630::SMR000875221::cid_3033832

SMILES: CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1

InChI Key: InChIKey=GKIRPKYJQBWNGO-QPLCGJKRSA-N

Data: 3 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 71545
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Anti-estrogen binding site (AEBS) (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
C-8 sterol isomerase (Saccharomyces cerevisiae)	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HT-1080 cells assessed as suppression of 2-HG production incubated for 48 hrs by LC-MS analysis				J Med Chem 61: 8981-9003 (2018) Article DOI: 10.1021/acs.jmedchem.8b00159
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
perilipin-5 (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.62E+4	n/a	n/a	n/a	n/a	7.45	37
Cardiff University					Assay Description Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.				J Enzym Inhib 16: 35-45 (2001) Article DOI: 10.1080/14756360109162353 BindingDB Entry DOI: 10.7270/Q2SX6BRB
Cardiff University					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
TCG Lifesciences Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
perilipin-1 (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF
					More data for this Ligand-Target Pair