BDBM50349174 CHEMBL1807526

SMILES: Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12

InChI Key: InChIKey=XAIBYEBSDCVCAA-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 = 50349174   

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))	BDBM50349174 (CHEMBL1807526) Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C20H18N2O3S/c1-13-5-4-8-17-19(13)14(12-26-17)11-22-16-7-3-2-6-15(16)21(20(22)25)10-9-18(23)24/h2-8,12H,9-11H2,1H3,(H,23,24)	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	2.10	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))	BDBM50349174 (CHEMBL1807526) Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12 Show InChI InChI=1S/C20H18N2O3S/c1-13-5-4-8-17-19(13)14(12-26-17)11-22-16-7-3-2-6-15(16)21(20(22)25)10-9-18(23)24/h2-8,12H,9-11H2,1H3,(H,23,24)	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	70	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