BDBM50349183 CHEMBL1807538

SMILES: Cc1cn(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)cccc12

InChI Key: InChIKey=ZJLQFSBJVCYOKQ-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 = 50349183   

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))	BDBM50349183 (CHEMBL1807538) Show SMILES Cc1cn(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)cccc12 Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)20-15(6-5-7-16(14)20)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	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	8.80	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))	BDBM50349183 (CHEMBL1807538) Show SMILES Cc1cn(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)cccc12 Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)20-15(6-5-7-16(14)20)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)	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	640	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