Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50001678   

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))	BDBM50294178 (CHEMBL4160682) Show SMILES Cc1cc(C)c2nc([nH]c2c1)-c1cc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C24H21N3/c1-16-12-17(2)23-20(13-16)25-24(26-23)22-14-19-10-6-7-11-21(19)27(22)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294174 (CHEMBL4170939) Show SMILES O=C(c1ccccc1)c1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C22H15N3O/c26-21(14-6-2-1-3-7-14)16-10-11-18-19(13-16)25-22(24-18)20-12-15-8-4-5-9-17(15)23-20/h1-13,23H,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294181 (CHEMBL4169456) Show SMILES Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C22H16BrN3/c23-17-10-11-18-19(13-17)25-22(24-18)21-12-16-8-4-5-9-20(16)26(21)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294182 (CHEMBL4161120) Show SMILES Clc1cc2nc([nH]c2cc1Cl)-c1cc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C22H15Cl2N3/c23-16-11-18-19(12-17(16)24)26-22(25-18)21-10-15-8-4-5-9-20(15)27(21)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294175 (CHEMBL4167567) Show SMILES Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C15H10BrN3/c16-10-5-6-12-13(8-10)19-15(18-12)14-7-9-3-1-2-4-11(9)17-14/h1-8,17H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294185 (CHEMBL4168369) Show SMILES Cc1cccc2[nH]c(nc12)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H13N3/c1-10-5-4-8-13-15(10)19-16(18-13)14-9-11-6-2-3-7-12(11)17-14/h2-9,17H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294176 (CHEMBL4164124) Show SMILES c1c([nH]c2ccccc12)-c1nc2cccc3cccc([nH]1)c23 Show InChI InChI=1S/C19H13N3/c1-2-8-14-13(5-1)11-17(20-14)19-21-15-9-3-6-12-7-4-10-16(22-19)18(12)15/h1-11,20H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294179 (CHEMBL4168602) Show SMILES C(c1ccccc1)n1c(cc2ccccc12)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17N3/c1-2-8-16(9-3-1)15-25-20-13-7-4-10-17(20)14-21(25)22-23-18-11-5-6-12-19(18)24-22/h1-14H,15H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294180 (CHEMBL4164944) Show SMILES Brc1cnc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H15BrN4/c22-16-11-17-20(23-12-16)25-21(24-17)19-10-15-8-4-5-9-18(15)26(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294177 (CHEMBL4170073) Show SMILES Cc1cccc2[nH]c(nc12)-c1cc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C23H19N3/c1-16-8-7-12-19-22(16)25-23(24-19)21-14-18-11-5-6-13-20(18)26(21)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50294183 (CHEMBL4171721) Show SMILES BrC1=CN2NC(=NC2N=C1)c1cc2ccccc2n1Cc1ccccc1 |c:5,9,t:1| Show InChI InChI=1S/C20H16BrN5/c21-16-11-22-20-23-19(24-26(20)13-16)18-10-15-8-4-5-9-17(15)25(18)12-14-6-2-1-3-7-14/h1-11,13,20H,12H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis				Eur J Med Chem 146: 206-219 (2018) Article DOI: 10.1016/j.ejmech.2018.01.051 BindingDB Entry DOI: 10.7270/Q20C4Z9J
					More data for this Ligand-Target Pair