BDBM10373 2-[7-(3-chloro-4-fluorophenyl)-12-(morpholine-4-sulfonyl)-3,5-dioxo-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]ethyl acetate::pyrrolo[3,4-c]-quinoline-1,3-dione 25b

SMILES: CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=MWKDEUQMSMMSHK-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 = 10373   

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))	BDBM10373 (2-[7-(3-chloro-4-fluorophenyl)-12-(morpholine-4-su...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C25H21ClFN3O7S/c1-14(31)37-11-8-30-24(32)21-17-13-16(38(34,35)29-6-9-36-10-7-29)3-5-20(17)28-23(22(21)25(30)33)15-2-4-19(27)18(26)12-15/h2-5,12-13H,6-11H2,1H3	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	33	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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair