Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM210945'   

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))	BDBM210945 (4-(2-(4-chlorophenyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccc(Cl)cc1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;8.44,-1.31,;6.65,-3.29,;5.19,-3.77,)| Show InChI InChI=1S/C23H24ClN3O2/c24-16-5-3-15(4-6-16)22-2-1-13-27(22)18-9-12-20(23(25)29)21(14-18)26-17-7-10-19(28)11-8-17/h1-6,9,12-14,17,19,26,28H,7-8,10-11H2,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Kansas; University of South Florida US Patent					Assay Description Assay buffer (25 μL, 20 mM HEPES pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg/mL BGG) was added to 96-well pl...				US Patent US10975030 (2021) BindingDB Entry DOI: 10.7270/Q2FJ2KWM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM210945 (4-(2-(4-chlorophenyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccc(Cl)cc1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;8.44,-1.31,;6.65,-3.29,;5.19,-3.77,)| Show InChI InChI=1S/C23H24ClN3O2/c24-16-5-3-15(4-6-16)22-2-1-13-27(22)18-9-12-20(23(25)29)21(14-18)26-17-7-10-19(28)11-8-17/h1-6,9,12-14,17,19,26,28H,7-8,10-11H2,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.3	n/a
The University of Kansas					Assay Description Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...				ACS Chem Biol 12: 244-253 (2017) Article DOI: 10.1021/acschembio.6b00747 BindingDB Entry DOI: 10.7270/Q20000XQ
					More data for this Ligand-Target Pair