Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-9' and Ligand = 'BDBM83913'   

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))	BDBM83913 (4-Chloro-3-nitro-benzoic acid N'-(3-1,2,3,4-te...) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12 Show InChI InChI=1S/C22H21ClN4O4/c23-17-10-9-14(13-20(17)27(30)31)22(29)25-24-21(28)11-12-26-18-7-3-1-5-15(18)16-6-2-4-8-19(16)26/h1,3,5,7,9-10,13H,2,4,6,8,11-12H2,(H,24,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	342	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
					More data for this Ligand-Target Pair