BDBM50194082 9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8,9,9a,10-tetrahydroindeno[2,1-e]indazol-7(3H)-one::CHEMBL424725

SMILES: O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=QVVZKGBRCGNLJU-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50194082   

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))	BDBM50194082 (9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26| Show InChI InChI=1S/C34H35N3O2/c38-31-15-16-34(21-24-7-3-1-4-8-24)22-28-27(13-14-30-29(28)23-35-36-30)33(34)32(31)25-9-11-26(12-10-25)39-20-19-37-17-5-2-6-18-37/h1,3-4,7-14,23H,2,5-6,15-22H2,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50194082 (9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26| Show InChI InChI=1S/C34H35N3O2/c38-31-15-16-34(21-24-7-3-1-4-8-24)22-28-27(13-14-30-29(28)23-35-36-30)33(34)32(31)25-9-11-26(12-10-25)39-20-19-37-17-5-2-6-18-37/h1,3-4,7-14,23H,2,5-6,15-22H2,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194082 (9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26| Show InChI InChI=1S/C34H35N3O2/c38-31-15-16-34(21-24-7-3-1-4-8-24)22-28-27(13-14-30-29(28)23-35-36-30)33(34)32(31)25-9-11-26(12-10-25)39-20-19-37-17-5-2-6-18-37/h1,3-4,7-14,23H,2,5-6,15-22H2,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Activity at ERalpha L384M/M421G/G521R mutant in HeLa cells assessed as activation of SEAP reporter gene				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194082 (9a-benzyl-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-8...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26| Show InChI InChI=1S/C34H35N3O2/c38-31-15-16-34(21-24-7-3-1-4-8-24)22-28-27(13-14-30-29(28)23-35-36-30)33(34)32(31)25-9-11-26(12-10-25)39-20-19-37-17-5-2-6-18-37/h1,3-4,7-14,23H,2,5-6,15-22H2,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair