BDBM50341441 2,2,2-Trifluoro-1-(7-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone::2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol::CHEMBL1615275

SMILES: Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F

InChI Key: InChIKey=OZASZYYBDFCSHO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50341441   

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))	BDBM50341441 (2,2,2-Trifluoro-1-(7-hydroxy-3,4-dihydroisoquinoli...) Show SMILES Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	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))	BDBM50341441 (2,2,2-Trifluoro-1-(7-hydroxy-3,4-dihydroisoquinoli...) Show SMILES Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.80E+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 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)