Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor beta   (240/240 = 100%)† (Homo sapiens (Human))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	900	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)
Estrogen receptor beta   (240/240 = 100%)† (Homo sapiens (Human))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a
Institut für Molekulare Physiologie Curated by ChEMBL					Assay Description Binding affinity to human ERbeta ligand binding domain expressed in Escherichia coli BL21(DE3) cells assessed as recruitment of fluorescently labeled...				Nat Chem Biol 5: 585-92 (2009) Article DOI: 10.1038/nchembio.188 BindingDB Entry DOI: 10.7270/Q2MP53F2
					More data for this Ligand-Target Pair				3D Structure (crystal)

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