BDBM50349177 CHEMBL1807639

SMILES: COc1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2n(C)c(C)c(C)c2c1

InChI Key: InChIKey=AVHYDKUKVRQUSH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50349177   

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
Cathepsin G (Homo sapiens (Human))	BDBM50349177 (CHEMBL1807639) Show SMILES COc1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2n(C)c(C)c(C)c2c1 Show InChI InChI=1S/C23H25N3O4/c1-14-15(2)24(3)22-16(11-17(30-4)12-18(14)22)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin G after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50349177 (CHEMBL1807639) Show SMILES COc1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2n(C)c(C)c(C)c2c1 Show InChI InChI=1S/C23H25N3O4/c1-14-15(2)24(3)22-16(11-17(30-4)12-18(14)22)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human chymase after 1 hr by fluorometric assay				Bioorg Med Chem Lett 21: 4533-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.126 BindingDB Entry DOI: 10.7270/Q23B60H0
					More data for this Ligand-Target Pair