BDBM10399 2-hydroxy-N-[7-methyl-3,5-dioxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-12-yl]ethane-1-sulfonamido::pyrrolo[3,4-c]quinoline 8b

SMILES: Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)NCCO

InChI Key: InChIKey=DBWCQGCJTLDQDN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10399   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM10399 (2-hydroxy-N-[7-methyl-3,5-dioxo-4-(1,3,5-trimethyl...) Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)NCCO Show InChI InChI=1S/C20H21N5O5S/c1-10-16-17(20(28)25(19(16)27)18-11(2)23-24(4)12(18)3)14-9-13(5-6-15(14)22-10)31(29,30)21-7-8-26/h5-6,9,21,26H,7-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
					More data for this Ligand-Target Pair