BDBM50238719 CHEMBL4073395

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

InChI Key: InChIKey=YSZVPNDGHMIVQD-SMUZHKEXSA-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 = 50238719   

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))	BDBM50238719 (CHEMBL4073395) Show SMILES NCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(28.05,-10.91,;29.38,-10.14,;30.71,-10.92,;32.05,-10.15,;33.38,-10.93,;33.38,-12.47,;34.72,-10.16,;36.06,-10.93,;37.39,-10.16,;37.39,-8.62,;38.72,-7.85,;40.06,-8.61,;40.06,-10.16,;38.72,-10.93,;41.39,-7.84,;42.72,-8.6,;42.73,-10.09,;41.54,-11.36,;43.03,-10.95,;44.44,-11.51,;45.45,-10.23,;44.05,-10.58,;45.47,-8.7,;44.06,-8.13,;43.02,-9.36,;41.38,-6.3,;42.72,-5.53,;42.71,-3.99,;41.37,-3.22,;41.37,-1.68,;40.04,-4.01,;40.05,-5.54,)| Show InChI InChI=1S/C28H32N2O2/c29-11-12-30-26(32)10-3-18-1-4-21(5-2-18)27(22-6-8-25(31)9-7-22)28-23-14-19-13-20(16-23)17-24(28)15-19/h1-10,19-20,23-24,31H,11-17,29H2,(H,30,32)/b10-3+,28-27-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	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))	BDBM50238719 (CHEMBL4073395) Show SMILES NCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(28.05,-10.91,;29.38,-10.14,;30.71,-10.92,;32.05,-10.15,;33.38,-10.93,;33.38,-12.47,;34.72,-10.16,;36.06,-10.93,;37.39,-10.16,;37.39,-8.62,;38.72,-7.85,;40.06,-8.61,;40.06,-10.16,;38.72,-10.93,;41.39,-7.84,;42.72,-8.6,;42.73,-10.09,;41.54,-11.36,;43.03,-10.95,;44.44,-11.51,;45.45,-10.23,;44.05,-10.58,;45.47,-8.7,;44.06,-8.13,;43.02,-9.36,;41.38,-6.3,;42.72,-5.53,;42.71,-3.99,;41.37,-3.22,;41.37,-1.68,;40.04,-4.01,;40.05,-5.54,)| Show InChI InChI=1S/C28H32N2O2/c29-11-12-30-26(32)10-3-18-1-4-21(5-2-18)27(22-6-8-25(31)9-7-22)28-23-14-19-13-20(16-23)17-24(28)15-19/h1-10,19-20,23-24,31H,11-17,29H2,(H,30,32)/b10-3+,28-27-	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