BDBM10380 12-bromo-4,7-dimethyl-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaene-3,5-dione::pyrrolo[3,4-c]quinoline 6f

SMILES: CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C

InChI Key: InChIKey=UHUOFNBFKRLJDR-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 = 10380   

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))	BDBM10380 (12-bromo-4,7-dimethyl-4,8-diazatricyclo[7.4.0.0^{2...) Show SMILES CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C Show InChI InChI=1S/C13H9BrN2O2/c1-6-10-11(13(18)16(2)12(10)17)8-5-7(14)3-4-9(8)15-6/h3-5H,1-2H3	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	1.58E+3	n/a	n/a	n/a	n/a	7.5	22
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