BDBM50040270 CHEMBL3360051

SMILES: Fc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1

InChI Key: InChIKey=LNQOGDMGNCKCJV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50040270   

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
Caspase-3 (Homo sapiens (Human))	BDBM50040270 (CHEMBL3360051) Show SMILES Fc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H12FNO2S/c17-12-8-5-11(6-9-12)7-10-15(19)18-16(20)13-3-1-2-4-14(13)21-18/h1-6,8-9H,7,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human caspase-3 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6735-45 (2015) Article DOI: 10.1016/j.bmc.2014.11.005 BindingDB Entry DOI: 10.7270/Q2FQ9Z6K
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50040270 (CHEMBL3360051) Show SMILES Fc1ccc(CCC(=O)n2sc3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H12FNO2S/c17-12-8-5-11(6-9-12)7-10-15(19)18-16(20)13-3-1-2-4-14(13)21-18/h1-6,8-9H,7,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human caspase-7 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6735-45 (2015) Article DOI: 10.1016/j.bmc.2014.11.005 BindingDB Entry DOI: 10.7270/Q2FQ9Z6K
					More data for this Ligand-Target Pair