BDBM50194089 9a-benzyl-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol-7(3H)-one::CHEMBL264349

SMILES: CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O

InChI Key: InChIKey=PTCVKBLDOAMFIC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50194089   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50194089 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C22H20N2O/c1-14-20(25)9-10-22(11-15-5-3-2-4-6-15)12-17-16(21(14)22)7-8-19-18(17)13-23-24-19/h2-8,13H,9-12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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))	BDBM50194089 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C22H20N2O/c1-14-20(25)9-10-22(11-15-5-3-2-4-6-15)12-17-16(21(14)22)7-8-19-18(17)13-23-24-19/h2-8,13H,9-12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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
Estrogen receptor (Homo sapiens (Human))	BDBM50194089 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C22H20N2O/c1-14-20(25)9-10-22(11-15-5-3-2-4-6-15)12-17-16(21(14)22)7-8-19-18(17)13-23-24-19/h2-8,13H,9-12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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