BDBM50194083 9a-(4-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydrofluoreno[1,2-d][1,2,3]triazol-7(3H)-one::CHEMBL214291

SMILES: CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccc(F)cc2)CCC1=O

InChI Key: InChIKey=NYZIRGGMYKKDJX-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 = 50194083   

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))	BDBM50194083 (9a-(4-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydrof...) Show SMILES CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1| Show InChI InChI=1S/C21H18FN3O/c1-12-18(26)8-9-21(10-13-2-4-14(22)5-3-13)11-16-15(19(12)21)6-7-17-20(16)24-25-23-17/h2-7H,8-11H2,1H3,(H,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50194083 (9a-(4-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydrof...) Show SMILES CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1| Show InChI InChI=1S/C21H18FN3O/c1-12-18(26)8-9-21(10-13-2-4-14(22)5-3-13)11-16-15(19(12)21)6-7-17-20(16)24-25-23-17/h2-7H,8-11H2,1H3,(H,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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))	BDBM50194083 (9a-(4-fluorobenzyl)-6-methyl-8,9,9a,10-tetrahydrof...) Show SMILES CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1| Show InChI InChI=1S/C21H18FN3O/c1-12-18(26)8-9-21(10-13-2-4-14(22)5-3-13)11-16-15(19(12)21)6-7-17-20(16)24-25-23-17/h2-7H,8-11H2,1H3,(H,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	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