BDBM50443579 CHEMBL3091725

SMILES: CCn1c(=O)c(sc1=Cc1scc[n+]1Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1)=C1Sc2cccc(F)c2N1C

InChI Key: InChIKey=WZKKROPFMLYCSD-QRQMUESOSA-O

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443579   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human))	BDBM50443579 (CHEMBL3091725) Show SMILES CCn1c(=O)c(sc1=Cc1scc[n+]1Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1)=C1Sc2cccc(F)c2N1C |r,w:38.43,8.9| Show InChI InChI=1S/C35H37FN6O3S4/c1-3-42-29(49-32(33(42)44)34-40(2)31-23(36)7-6-9-26(31)48-34)17-28-41(15-16-46-28)19-22-13-11-21(12-14-22)18-37-27(43)10-5-4-8-25-30-24(20-47-25)38-35(45)39-30/h6-7,9,11-17,24-25,30H,3-5,8,10,18-20H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t24-,25-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Binding affinity to human HSC70 after 3 hrs by ELISA				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400204n BindingDB Entry DOI: 10.7270/Q2Q81FHC
					More data for this Ligand-Target Pair