Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50000835   

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))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...				Bioorg Med Chem 25: 5216-5237 (2017) Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50261555 (CHEMBL4088694) Show SMILES Cl.Oc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1 Show InChI InChI=1S/C23H15NO/c25-18-10-11-19-22(14-18)24-21-13-17-9-5-4-8-16(17)12-20(21)23(19)15-6-2-1-3-7-15/h1-14,25H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...				Bioorg Med Chem 25: 5216-5237 (2017) Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50261554 (CHEMBL4092300) Show SMILES Cl.Oc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12 Show InChI InChI=1S/C23H15NO/c25-21-12-6-11-18-22(15-7-2-1-3-8-15)19-13-16-9-4-5-10-17(16)14-20(19)24-23(18)21/h1-14,25H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...				Bioorg Med Chem 25: 5216-5237 (2017) Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50261556 (CHEMBL4105062) Show SMILES Cl.Clc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1 Show InChI InChI=1S/C23H14ClN/c24-18-10-11-19-22(14-18)25-21-13-17-9-5-4-8-16(17)12-20(21)23(19)15-6-2-1-3-7-15/h1-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...				Bioorg Med Chem 25: 5216-5237 (2017) Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50261557 (CHEMBL4071813) Show SMILES Cl.Clc1c2ccccc2cc2c(-c3ccccc3)c3ccccc3nc12 Show InChI InChI=1S/C23H14ClN/c24-22-17-11-5-4-10-16(17)14-19-21(15-8-2-1-3-9-15)18-12-6-7-13-20(18)25-23(19)22/h1-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...				Bioorg Med Chem 25: 5216-5237 (2017) Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50261558 (CHEMBL4071506) Show SMILES Cl.FC(F)(F)c1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12 Show InChI InChI=1S/C24H14F3N/c25-24(26,27)20-12-6-11-18-22(15-7-2-1-3-8-15)19-13-16-9-4-5-10-17(16)14-21(19)28-23(18)20/h1-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene...				Bioorg Med Chem 25: 5216-5237 (2017) Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD
					More data for this Ligand-Target Pair