Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM63168'   

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-3 (Homo sapiens (Human))	BDBM63168 (4-methyl-2-[[(Z)-(2-oxidanylidenenaphthalen-1-ylid...) Show SMILES Cc1c(Cc2ccccc2)sc(N=Cc2c(O)ccc3ccccc23)c1C(N)=O |w:12.12| Show InChI InChI=1S/C24H20N2O2S/c1-15-21(13-16-7-3-2-4-8-16)29-24(22(15)23(25)28)26-14-19-18-10-6-5-9-17(18)11-12-20(19)27/h2-12,14,27H,13H2,1H3,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P
					More data for this Ligand-Target Pair