Identical Ligands in BindingDB

Found 3 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
Beta-galactosidase [24-677,R201C]   (653/654 > 99%)† (Homo sapiens (Human))	BDBM228802 (5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...) Show SMILES CCCC\N=C1/SC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN12 Show InChI InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5.33E+4	-25.4	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-galactosidase [24-677]   (654/654 = 100%)† (Homo sapiens (Human))	BDBM228802 (5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...) Show SMILES CCCC\N=C1/SC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN12 Show InChI InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6.83E+4	-24.7	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-galactosidase [24-677,I51T]   (653/654 > 99%)† (Homo sapiens (Human))	BDBM228802 (5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...) Show SMILES CCCC\N=C1/SC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN12 Show InChI InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6.88E+4	-24.7	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair				3D Structure (crystal)

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