Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50486052'   

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/90-beta (Homo sapiens (Human))	BDBM50486052 (CHEMBL2204518) Show SMILES C[C@H](NC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1cc(C)c(cc1C)C(N)=O)c1ccc(cc1)N1CCN(C)CC1 |r,TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11| Show InChI InChI=1S/C36H45N7O3/c1-22-18-32(23(2)17-31(22)34(37)44)36(46)40-27-19-29-10-11-30(20-27)43(29)33-12-7-26(21-38-33)35(45)39-24(3)25-5-8-28(9-6-25)42-15-13-41(4)14-16-42/h5-9,12,17-18,21,24,27,29-30H,10-11,13-16,19-20H2,1-4H3,(H2,37,44)(H,39,45)(H,40,46)/t24-,27?,29?,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Inc Curated by ChEMBL					Assay Description Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay				Bioorg Med Chem Lett 22: 5396-404 (2012) Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50486052 (CHEMBL2204518) Show SMILES C[C@H](NC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1cc(C)c(cc1C)C(N)=O)c1ccc(cc1)N1CCN(C)CC1 |r,TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11| Show InChI InChI=1S/C36H45N7O3/c1-22-18-32(23(2)17-31(22)34(37)44)36(46)40-27-19-29-10-11-30(20-27)43(29)33-12-7-26(21-38-33)35(45)39-24(3)25-5-8-28(9-6-25)42-15-13-41(4)14-16-42/h5-9,12,17-18,21,24,27,29-30H,10-11,13-16,19-20H2,1-4H3,(H2,37,44)(H,39,45)(H,40,46)/t24-,27?,29?,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A549 cells assessed as Raf1 degradation after 24 hrs by Western blot analysis				Bioorg Med Chem Lett 22: 5396-404 (2012) Article DOI: 10.1016/j.bmcl.2012.07.052 BindingDB Entry DOI: 10.7270/Q25M68KK
					More data for this Ligand-Target Pair