BDBM50237319 CHEMBL4080245

SMILES: CC(C)c1ccc(cn1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=XYYPAELCIOFYJI-AWNIVKPZSA-N

Data: 2 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 = 50237319   

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))	BDBM50237319 (CHEMBL4080245) Show SMILES CC(C)c1ccc(cn1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H28N2O3/c1-18(2)25-12-9-22(17-28-25)29-15-14-20-16-23(30)10-11-24(20)27(29,3)21-7-4-19(5-8-21)6-13-26(31)32/h4-13,16-18,30H,14-15H2,1-3H3,(H,31,32)/b13-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50237319 (CHEMBL4080245) Show SMILES CC(C)c1ccc(cn1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C27H28N2O3/c1-18(2)25-12-9-22(17-28-25)29-15-14-20-16-23(30)10-11-24(20)27(29,3)21-7-4-19(5-8-21)6-13-26(31)32/h4-13,16-18,30H,14-15H2,1-3H3,(H,31,32)/b13-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B				J Med Chem 60: 2790-2818 (2017) Article DOI: 10.1021/acs.jmedchem.6b01468 BindingDB Entry DOI: 10.7270/Q2DB845Q
					More data for this Ligand-Target Pair