Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50324949'   

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-1 (Homo sapiens (Human))	BDBM50324949 ((R)-2-((S)-4-(2-(2-(2-(dimethylamino)ethoxy)quinol...) Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2nc(OCCN(C)C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C26H36N4O6/c1-17(2)21(26(35)28-19(16-31)14-25(33)34)15-23(32)27-11-10-18-6-5-7-22-20(18)8-9-24(29-22)36-13-12-30(3)4/h5-9,16-17,19,21H,10-15H2,1-4H3,(H,27,32)(H,28,35)(H,33,34)/t19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50324949 ((R)-2-((S)-4-(2-(2-(2-(dimethylamino)ethoxy)quinol...) Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2nc(OCCN(C)C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C26H36N4O6/c1-17(2)21(26(35)28-19(16-31)14-25(33)34)15-23(32)27-11-10-18-6-5-7-22-20(18)8-9-24(29-22)36-13-12-30(3)4/h5-9,16-17,19,21H,10-15H2,1-4H3,(H,27,32)(H,28,35)(H,33,34)/t19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
					More data for this Ligand-Target Pair