Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 35221   

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))	BDBM35221 (pyrimidoindolone, 25b) Show SMILES O=C1C2=NCC3(CCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2| Show InChI InChI=1S/C25H27N3O4S/c29-23-21-14-20(9-10-22(21)27-17-25(11-5-12-25)16-26-24(23)27)33(30,31)28-13-4-6-18(28)15-32-19-7-2-1-3-8-19/h1-3,7-10,14,18H,4-6,11-13,15-17H2/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.29	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ...				Bioorg Med Chem 17: 7755-68 (2009) Article DOI: 10.1016/j.bmc.2009.09.036 BindingDB Entry DOI: 10.7270/Q2BG2M9S
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