BDBM50194088 9a-benzyl-4-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one::CHEMBL385514

SMILES: CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O

InChI Key: InChIKey=WZNQNUWHNJHSGU-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 = 50194088   

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))	BDBM50194088 (9a-benzyl-4-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:4| Show InChI InChI=1S/C24H26O2/c1-2-3-9-21-22(26)12-13-24(15-17-7-5-4-6-8-17)16-18-14-19(25)10-11-20(18)23(21)24/h4-8,10-11,14,25H,2-3,9,12-13,15-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50194088 (9a-benzyl-4-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:4| Show InChI InChI=1S/C24H26O2/c1-2-3-9-21-22(26)12-13-24(15-17-7-5-4-6-8-17)16-18-14-19(25)10-11-20(18)23(21)24/h4-8,10-11,14,25H,2-3,9,12-13,15-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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))	BDBM50194088 (9a-benzyl-4-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:4| Show InChI InChI=1S/C24H26O2/c1-2-3-9-21-22(26)12-13-24(15-17-7-5-4-6-8-17)16-18-14-19(25)10-11-20(18)23(21)24/h4-8,10-11,14,25H,2-3,9,12-13,15-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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