BDBM50238735 CHEMBL4100247

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

InChI Key: InChIKey=QRXQAHAWNPNIES-FCFZIPAHSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50238735   

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))	BDBM50238735 (CHEMBL4100247) Show SMILES OCCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(2.2,-41.25,;3.53,-42.02,;4.87,-41.26,;6.2,-42.03,;7.54,-41.27,;8.87,-42.04,;10.2,-41.28,;11.53,-42.05,;11.53,-43.59,;12.88,-41.29,;14.21,-42.06,;15.54,-41.29,;15.55,-39.74,;16.87,-38.97,;18.21,-39.74,;18.21,-41.29,;16.88,-42.06,;19.54,-38.96,;20.88,-39.73,;20.88,-41.22,;19.69,-42.49,;21.18,-42.08,;22.59,-42.63,;23.6,-41.36,;22.21,-41.7,;23.62,-39.83,;22.22,-39.26,;21.18,-40.48,;19.53,-37.42,;20.87,-36.66,;20.86,-35.12,;19.53,-34.35,;19.52,-32.81,;18.19,-35.13,;18.2,-36.67,)| Show InChI InChI=1S/C31H37NO3/c33-15-3-1-2-14-32-29(35)13-6-21-4-7-24(8-5-21)30(25-9-11-28(34)12-10-25)31-26-17-22-16-23(19-26)20-27(31)18-22/h4-13,22-23,26-27,33-34H,1-3,14-20H2,(H,32,35)/b13-6+,31-30-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	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
Estrogen receptor (Homo sapiens (Human))	BDBM50238735 (CHEMBL4100247) Show SMILES OCCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(2.2,-41.25,;3.53,-42.02,;4.87,-41.26,;6.2,-42.03,;7.54,-41.27,;8.87,-42.04,;10.2,-41.28,;11.53,-42.05,;11.53,-43.59,;12.88,-41.29,;14.21,-42.06,;15.54,-41.29,;15.55,-39.74,;16.87,-38.97,;18.21,-39.74,;18.21,-41.29,;16.88,-42.06,;19.54,-38.96,;20.88,-39.73,;20.88,-41.22,;19.69,-42.49,;21.18,-42.08,;22.59,-42.63,;23.6,-41.36,;22.21,-41.7,;23.62,-39.83,;22.22,-39.26,;21.18,-40.48,;19.53,-37.42,;20.87,-36.66,;20.86,-35.12,;19.53,-34.35,;19.52,-32.81,;18.19,-35.13,;18.2,-36.67,)| Show InChI InChI=1S/C31H37NO3/c33-15-3-1-2-14-32-29(35)13-6-21-4-7-24(8-5-21)30(25-9-11-28(34)12-10-25)31-26-17-22-16-23(19-26)20-27(31)18-22/h4-13,22-23,26-27,33-34H,1-3,14-20H2,(H,32,35)/b13-6+,31-30-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Downregulation of human ERalpha in human MCF-7 cells after 24 hrs by in-cell Western immunoassay method				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