BDBM50341433 2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6-ol::2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol::CHEMBL1615276

SMILES: Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F

InChI Key: InChIKey=HADUTEDIBIZUBV-UHFFFAOYSA-N

Data: 4 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50341433   

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))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Transcriptional activation of human ERalpha receptor transfected in human U2OS cells assessed as increase of luciferase activity by estrogen response...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Transcriptional activation of human ERbeta receptor transfected in human U2OS cells assessed as increase of luciferase activity by estrogen response ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)