BDBM50443566 CHEMBL3091931

SMILES: CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cc(ccc2N1C)C(F)(F)F

InChI Key: InChIKey=BEEQJQATCOAKJC-ZXRRJQOQSA-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 = 50443566   

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))	BDBM50443566 (CHEMBL3091931) Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2cc(ccc2N1C)C(F)(F)F |r,w:37.41,8.9| Show InChI InChI=1S/C36H43F3N6O3S3/c1-3-45-30(51-32(33(45)47)34-43(2)26-16-15-23(36(37,38)39)20-28(26)50-34)21-24-12-8-11-19-44(24)18-10-5-4-9-17-40-29(46)14-7-6-13-27-31-25(22-49-27)41-35(48)42-31/h8,11-12,15-16,19-21,25,27,31H,3-7,9-10,13-14,17-18,22H2,1-2H3,(H2-,40,41,42,46,48)/p+1/t25-,27-,31-/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	1.00E+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