Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-9' and Ligand = 'BDBM64781'   

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-9 (Homo sapiens (Human))	BDBM64781 (4-[[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazi...) Show SMILES Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:7.7| Show InChI InChI=1S/C19H24N6O/c26-16-7-5-15(6-8-16)14-20-23-17-13-18(24-9-1-2-10-24)22-19(21-17)25-11-3-4-12-25/h5-8,13,26H,1-4,9-12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
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