BDBM50238717 CHEMBL4097562

SMILES: CCCNS(=O)(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1

InChI Key: InChIKey=KWFVXBFYYRPSDF-CWWQGFDPSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238717   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50238717 (CHEMBL4097562) Show SMILES CCCNS(=O)(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(27.89,-11.31,;29.23,-10.54,;30.56,-11.31,;31.89,-10.54,;33.22,-11.31,;33.98,-12.64,;32.45,-12.63,;34.56,-10.54,;35.89,-11.31,;37.23,-10.54,;37.23,-9,;38.56,-8.23,;39.89,-8.99,;39.9,-10.54,;38.56,-11.31,;41.23,-8.22,;42.56,-8.98,;42.57,-10.47,;41.37,-11.74,;42.87,-11.33,;44.28,-11.89,;45.29,-10.61,;43.89,-10.96,;45.31,-9.08,;43.9,-8.51,;42.86,-9.74,;41.22,-6.68,;42.55,-5.91,;42.55,-4.37,;41.21,-3.61,;41.2,-2.07,;39.88,-4.39,;39.89,-5.93,)| Show InChI InChI=1S/C28H33NO3S/c1-2-12-29-33(31,32)13-11-19-3-5-22(6-4-19)27(23-7-9-26(30)10-8-23)28-24-15-20-14-21(17-24)18-25(28)16-20/h3-11,13,20-21,24-25,29-30H,2,12,14-18H2,1H3/b13-11+,28-27-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting				J Med Chem 60: 6321-6336 (2017) Article DOI: 10.1021/acs.jmedchem.7b00585 BindingDB Entry DOI: 10.7270/Q2RB76V7
					More data for this Ligand-Target Pair