BDBM50436398 CHEMBL2396929

SMILES: CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=UALUBYZYORZIOO-LRTDYKAYSA-N

Data: 3 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 3 hits for monomerid = 50436398   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50436398 (CHEMBL2396929) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C25H27ClN4O7/c1-3-19(22(32)28-18-6-4-5-14(11-18)24(34)35)29-25(36)30-13-21(31)27-12-16(23(30)33)9-15-10-17(26)7-8-20(15)37-2/h4-8,10-11,16,19H,3,9,12-13H2,1-2H3,(H,27,31)(H,28,32)(H,29,36)(H,34,35)/t16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-pNA as substrate preincubated for 10 mins followed by substrate addition measure...				Bioorg Med Chem 21: 4233-49 (2013) Article DOI: 10.1016/j.bmc.2013.04.079 BindingDB Entry DOI: 10.7270/Q2CF9RHR
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50436398 (CHEMBL2396929) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C25H27ClN4O7/c1-3-19(22(32)28-18-6-4-5-14(11-18)24(34)35)29-25(36)30-13-21(31)27-12-16(23(30)33)9-15-10-17(26)7-8-20(15)37-2/h4-8,10-11,16,19H,3,9,12-13H2,1-2H3,(H,27,31)(H,28,32)(H,29,36)(H,34,35)/t16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant chymase using Suc-Ala-Ala-Pro-Phe-MCA as substrate assessed as AMC formation preincubated for 10 mins followed by sub...				Bioorg Med Chem 21: 4233-49 (2013) Article DOI: 10.1016/j.bmc.2013.04.079 BindingDB Entry DOI: 10.7270/Q2CF9RHR
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50436398 (CHEMBL2396929) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C25H27ClN4O7/c1-3-19(22(32)28-18-6-4-5-14(11-18)24(34)35)29-25(36)30-13-21(31)27-12-16(23(30)33)9-15-10-17(26)7-8-20(15)37-2/h4-8,10-11,16,19H,3,9,12-13H2,1-2H3,(H,27,31)(H,28,32)(H,29,36)(H,34,35)/t16?,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human neutrophil cathepsin G using Boc-Gln-Ala-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured af...				Bioorg Med Chem 21: 4233-49 (2013) Article DOI: 10.1016/j.bmc.2013.04.079 BindingDB Entry DOI: 10.7270/Q2CF9RHR
					More data for this Ligand-Target Pair