BDBM50247871 CHEMBL521965::Methyl 3-[4-{[(benzyloxy)carbonyl]amino}-5-chloro-3-oxoisothiazol-2(3H)-yl]propanoate

SMILES: COC(=O)CCn1sc(Cl)c(NC(=O)OCc2ccccc2)c1=O

InChI Key: InChIKey=KAYBXJOOGCABPL-UHFFFAOYSA-N

Data: 1 IC50

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 = 50247871   

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
Histone acetyltransferase PCAF (Homo sapiens (Human))	BDBM50247871 (CHEMBL521965 | Methyl 3-[4-{[(benzyloxy)carbonyl]a...) Show SMILES COC(=O)CCn1sc(Cl)c(NC(=O)OCc2ccccc2)c1=O Show InChI InChI=1S/C15H15ClN2O5S/c1-22-11(19)7-8-18-14(20)12(13(16)24-18)17-15(21)23-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant HAT PCAF				Bioorg Med Chem 17: 460-6 (2009) Article DOI: 10.1016/j.bmc.2008.12.008 BindingDB Entry DOI: 10.7270/Q2BC3ZDM
					More data for this Ligand-Target Pair