BDBM100750 CHEMBL2397003::US8507714, 239

SMILES: CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nnn[nH]1

InChI Key: InChIKey=BKBRIRMQOJEQGE-GLGOKHISSA-N

Data: 4 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 4 hits for monomerid = 100750   

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
Chymase (Homo sapiens (Human))	BDBM100750 (CHEMBL2397003 | US8507714, 239) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nnn[nH]1 |r| Show InChI InChI=1S/C19H23ClN8O5/c1-3-13(16(30)23-18-24-26-27-25-18)22-19(32)28-9-15(29)21-8-11(17(28)31)6-10-7-12(20)4-5-14(10)33-2/h4-5,7,11,13H,3,6,8-9H2,1-2H3,(H,21,29)(H,22,32)(H2,23,24,25,26,27,30)/t11?,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Company, Limited US Patent					Assay Description Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...				US Patent US8507714 (2013) BindingDB Entry DOI: 10.7270/Q2H130N8
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM100750 (CHEMBL2397003 | US8507714, 239) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nnn[nH]1 |r| Show InChI InChI=1S/C19H23ClN8O5/c1-3-13(16(30)23-18-24-26-27-25-18)22-19(32)28-9-15(29)21-8-11(17(28)31)6-10-7-12(20)4-5-14(10)33-2/h4-5,7,11,13H,3,6,8-9H2,1-2H3,(H,21,29)(H,22,32)(H2,23,24,25,26,27,30)/t11?,13-/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	260	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))	BDBM100750 (CHEMBL2397003 | US8507714, 239) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nnn[nH]1 |r| Show InChI InChI=1S/C19H23ClN8O5/c1-3-13(16(30)23-18-24-26-27-25-18)22-19(32)28-9-15(29)21-8-11(17(28)31)6-10-7-12(20)4-5-14(10)33-2/h4-5,7,11,13H,3,6,8-9H2,1-2H3,(H,21,29)(H,22,32)(H2,23,24,25,26,27,30)/t11?,13-/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	>1.00E+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 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
Leukocyte elastase (Homo sapiens (Human))	BDBM100750 (CHEMBL2397003 | US8507714, 239) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nnn[nH]1 |r| Show InChI InChI=1S/C19H23ClN8O5/c1-3-13(16(30)23-18-24-26-27-25-18)22-19(32)28-9-15(29)21-8-11(17(28)31)6-10-7-12(20)4-5-14(10)33-2/h4-5,7,11,13H,3,6,8-9H2,1-2H3,(H,21,29)(H,22,32)(H2,23,24,25,26,27,30)/t11?,13-/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+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