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
Heat shock protein HSP 90-alpha   (228/228 = 100%)† (Homo sapiens (Human))	BDBM50343360 (4-Chloro-6-(2-methoxyphenyl)-pyrimidin-2-ylamine |...) Show SMILES COc1ccccc1-c1cc(Cl)nc(N)n1 Show InChI InChI=1S/C11H10ClN3O/c1-16-9-5-3-2-4-7(9)8-6-10(12)15-11(13)14-8/h2-6H,1H3,(H2,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...				J Med Chem 54: 3368-85 (2011) Article DOI: 10.1021/jm200128m BindingDB Entry DOI: 10.7270/Q2Z320M5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha/90-beta   (196/213 = 92%)† (Homo sapiens (Human))	BDBM50343360 (4-Chloro-6-(2-methoxyphenyl)-pyrimidin-2-ylamine |...) Show SMILES COc1ccccc1-c1cc(Cl)nc(N)n1 Show InChI InChI=1S/C11H10ClN3O/c1-16-9-5-3-2-4-7(9)8-6-10(12)15-11(13)14-8/h2-6H,1H3,(H2,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry				J Med Chem 53: 5942-55 (2010) Article DOI: 10.1021/jm100059d BindingDB Entry DOI: 10.7270/Q2QF8WPC
					More data for this Ligand-Target Pair				3D Structure (crystal)

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