BDBM50160948 (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid::CHEMBL181768

SMILES: CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O

InChI Key: InChIKey=LVXZMAMJNHAXKU-ZENAZSQFSA-N

Data: 4 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 4 hits for monomerid = 50160948   

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))	BDBM50160948 ((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50160948 ((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50160948 ((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50160948 ((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair