Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50518434'   

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 (Homo sapiens (Human))	BDBM50518434 (CHEMBL4513265) Show SMILES Cc1nn(-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c2cccc(-c3cnc4ccccc4c3)c12 |r,wU:13.12,wD:16.16,(34.18,-30.21,;33.72,-31.67,;34.63,-32.92,;33.73,-34.17,;34.21,-35.62,;33.19,-36.77,;33.67,-38.23,;35.18,-38.54,;35.66,-40,;34.64,-41.16,;37.17,-40.31,;36.2,-37.38,;37.71,-37.69,;38.73,-36.54,;38.24,-35.08,;39.26,-33.93,;40.77,-34.24,;41.8,-33.09,;41.26,-35.7,;40.24,-36.85,;35.71,-35.93,;32.26,-33.7,;30.92,-34.48,;29.59,-33.71,;29.59,-32.17,;30.92,-31.39,;30.91,-29.86,;32.24,-29.09,;32.24,-27.55,;30.9,-26.78,;30.89,-25.24,;29.54,-24.48,;28.21,-25.27,;28.23,-26.81,;29.57,-27.56,;29.58,-29.1,;32.25,-32.16,)| Show InChI InChI=1S/C30H29N5O2/c1-18-29-24(20-15-19-5-2-3-7-26(19)32-17-20)6-4-8-28(29)35(34-18)22-11-14-25(30(31)37)27(16-22)33-21-9-12-23(36)13-10-21/h2-8,11,14-17,21,23,33,36H,9-10,12-13H2,1H3,(H2,31,37)/t21-,23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of biotin-labeled geldanamycin from His-tagged HSP90alpha NTD (unknown origin) preincubated for 2 hrs followed by biotin-labeled geldana...				J Med Chem 62: 531-551 (2019) Article DOI: 10.1021/acs.jmedchem.8b01085 BindingDB Entry DOI: 10.7270/Q26M3B6N
					More data for this Ligand-Target Pair				3D Structure (crystal)