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
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 |
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Anti-estrogen binding site (AEBS) (Homo sapiens (Human)) | BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-8 sterol isomerase (Saccharomyces cerevisiae) | BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-5 (Homo sapiens (Human)) | BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) | 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...) | 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 | |||||||||||
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...) | 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...) | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-1 (Homo sapiens (Human)) | BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) | 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 |