Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50276880'   

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))	BDBM50276880 (CHEMBL4171598) Show SMILES Oc1ccc2Cc3sc4cc(O)ccc4c3C(c3ccc(OCCN4CCCCC4)cc3)c2c1 Show InChI InChI=1S/C29H29NO3S/c31-21-7-4-20-16-27-29(24-11-8-22(32)18-26(24)34-27)28(25(20)17-21)19-5-9-23(10-6-19)33-15-14-30-12-2-1-3-13-30/h4-11,17-18,28,31-32H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jain University Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin)				Eur J Med Chem 138: 1002-1033 (2017) Article DOI: 10.1016/j.ejmech.2017.07.038 BindingDB Entry DOI: 10.7270/Q2C24ZZC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50276880 (CHEMBL4171598) Show SMILES Oc1ccc2Cc3sc4cc(O)ccc4c3C(c3ccc(OCCN4CCCCC4)cc3)c2c1 Show InChI InChI=1S/C29H29NO3S/c31-21-7-4-20-16-27-29(24-11-8-22(32)18-26(24)34-27)28(25(20)17-21)19-5-9-23(10-6-19)33-15-14-30-12-2-1-3-13-30/h4-11,17-18,28,31-32H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Jain University Curated by ChEMBL					Assay Description Antagonist activity at ER in human MCF7 cells assessed as inhibition of 17beta-estradiol-induced cell proliferation				Eur J Med Chem 138: 1002-1033 (2017) Article DOI: 10.1016/j.ejmech.2017.07.038 BindingDB Entry DOI: 10.7270/Q2C24ZZC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50276880 (CHEMBL4171598) Show SMILES Oc1ccc2Cc3sc4cc(O)ccc4c3C(c3ccc(OCCN4CCCCC4)cc3)c2c1 Show InChI InChI=1S/C29H29NO3S/c31-21-7-4-20-16-27-29(24-11-8-22(32)18-26(24)34-27)28(25(20)17-21)19-5-9-23(10-6-19)33-15-14-30-12-2-1-3-13-30/h4-11,17-18,28,31-32H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Jain University Curated by ChEMBL					Assay Description Antagonist activity at ER in human Ishikawa cells assessed as inhibition of E2-induced alkaline phosphatase induction after 72 hrs by PNPP substrate ...				Eur J Med Chem 138: 1002-1033 (2017) Article DOI: 10.1016/j.ejmech.2017.07.038 BindingDB Entry DOI: 10.7270/Q2C24ZZC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50276880 (CHEMBL4171598) Show SMILES Oc1ccc2Cc3sc4cc(O)ccc4c3C(c3ccc(OCCN4CCCCC4)cc3)c2c1 Show InChI InChI=1S/C29H29NO3S/c31-21-7-4-20-16-27-29(24-11-8-22(32)18-26(24)34-27)28(25(20)17-21)19-5-9-23(10-6-19)33-15-14-30-12-2-1-3-13-30/h4-11,17-18,28,31-32H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Jain University Curated by ChEMBL					Assay Description Agonist activity at ER in human Ishikawa cells assessed as alkaline phosphatase induction after 72 hrs by PNPP substrate based spectophotometric meth...				Eur J Med Chem 138: 1002-1033 (2017) Article DOI: 10.1016/j.ejmech.2017.07.038 BindingDB Entry DOI: 10.7270/Q2C24ZZC
					More data for this Ligand-Target Pair