BDBM50436399 CHEMBL2397009

SMILES: CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1nc(co1)C(O)=O

InChI Key: InChIKey=DQTKBHOUROETQR-TZMCWYRMSA-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 = 50436399   

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))	BDBM50436399 (CHEMBL2397009) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1nc(co1)C(O)=O |r| Show InChI InChI=1S/C21H23ClN4O7/c1-3-14(18-24-15(10-33-18)20(29)30)25-21(31)26-9-17(27)23-8-12(19(26)28)6-11-7-13(22)4-5-16(11)32-2/h4-5,7,10,12,14H,3,6,8-9H2,1-2H3,(H,23,27)(H,25,31)(H,29,30)/t12-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50436399 (CHEMBL2397009) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1nc(co1)C(O)=O |r| Show InChI InChI=1S/C21H23ClN4O7/c1-3-14(18-24-15(10-33-18)20(29)30)25-21(31)26-9-17(27)23-8-12(19(26)28)6-11-7-13(22)4-5-16(11)32-2/h4-5,7,10,12,14H,3,6,8-9H2,1-2H3,(H,23,27)(H,25,31)(H,29,30)/t12-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	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))	BDBM50436399 (CHEMBL2397009) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1nc(co1)C(O)=O |r| Show InChI InChI=1S/C21H23ClN4O7/c1-3-14(18-24-15(10-33-18)20(29)30)25-21(31)26-9-17(27)23-8-12(19(26)28)6-11-7-13(22)4-5-16(11)32-2/h4-5,7,10,12,14H,3,6,8-9H2,1-2H3,(H,23,27)(H,25,31)(H,29,30)/t12-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+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 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