BDBM50210730 4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-diazepane-4-carboxamido)propyl)-2-aminobenzoic acid::CHEMBL245930

SMILES: CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1

InChI Key: InChIKey=ZQCPJAZKZATEMD-DNVCBOLYSA-N

Data: 6 IC50  1 Kd

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 7 hits for monomerid = 50210730   

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))	BDBM50210730 (4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1	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	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human cathepsin G				Bioorg Med Chem Lett 17: 3435-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.085 BindingDB Entry DOI: 10.7270/Q2MK6CKH
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50210730 (4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant chymase				Bioorg Med Chem Lett 17: 3435-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.085 BindingDB Entry DOI: 10.7270/Q2MK6CKH
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50210730 (4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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))	BDBM50210730 (4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human chymase pre-incubated for 10 mins before Suc-Ala-Ala-Pro-Phe-MCA substrate addition and measured after 10 mins by flu...				Bioorg Med Chem Lett 28: 188-192 (2018) Article DOI: 10.1016/j.bmcl.2017.11.031 BindingDB Entry DOI: 10.7270/Q2T72M14
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50210730 (4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1	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	300	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
Chymase (Homo sapiens (Human))	BDBM50210730 (4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1	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	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human chymase assessed as dissociation constant at 6 to 1000 nM by SPR assay				Bioorg Med Chem Lett 28: 188-192 (2018) Article DOI: 10.1016/j.bmcl.2017.11.031 BindingDB Entry DOI: 10.7270/Q2T72M14
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50210730 (4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...) Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1	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	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