Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50045981   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50089633 (CHEMBL3578274) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50089636 (CHEMBL3578271) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50089605 (CHEMBL3578284) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50089604 (CHEMBL3578285) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50089607 (CHEMBL3576885) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H20FN5O3/c1-17(19-7-10-21(29)11-8-19)34-26(35)28(37-27(34)36,16-18-5-3-2-4-6-18)25-31-23-12-9-20(15-24(23)32-25)22-13-14-30-33-22/h2-15,17H,16H2,1H3/b22-20+/t17-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50089603 (CHEMBL3578286) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50089631 (CHEMBL3578276) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50089593 (CHEMBL3578295) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair