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))	BDBM50354829 (CHEMBL1834093) Show SMILES Cc1cc(nc(N)n1)-c1ccc2COCc3cccc1c23 Show InChI InChI=1S/C17H15N3O/c1-10-7-15(20-17(18)19-10)13-6-5-12-9-21-8-11-3-2-4-14(13)16(11)12/h2-7H,8-9H2,1H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged HSP90alpha expressed in Escherichia coli after 1 hr using 10 mM of ATP and malachite green by microplate re...				Bioorg Med Chem Lett 21: 5778-83 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.08.001 BindingDB Entry DOI: 10.7270/Q2QJ7HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha   (228/228 = 100%)† (Homo sapiens (Human))	BDBM50354829 (CHEMBL1834093) Show SMILES Cc1cc(nc(N)n1)-c1ccc2COCc3cccc1c23 Show InChI InChI=1S/C17H15N3O/c1-10-7-15(20-17(18)19-10)13-6-5-12-9-21-8-11-3-2-4-14(13)16(11)12/h2-7H,8-9H2,1H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturbation by NMR spectroscopy				Bioorg Med Chem Lett 21: 5778-83 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.08.001 BindingDB Entry DOI: 10.7270/Q2QJ7HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)

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