Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-4' and Ligand = 'BDBM50200553'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-4 (Homo sapiens (Human))	BDBM50200553 (CHEMBL3898379) Show SMILES CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-4 (Homo sapiens (Human))	BDBM50200553 (CHEMBL3898379) Show SMILES CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair