BDBM50014730 CHEMBL130271::N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidin-1-yl]-ethylcarbamoyl}-ethyl)-succinamic acid methyl ester

SMILES: COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=GLEKDCYUGXACTA-WSMBLCCSSA-N

Data: 5 KI

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 5 hits for monomerid = 50014730   

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))	BDBM50014730 (CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against human Elastase for more active diasteriomer				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50014730 (CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated In vitro for inhibition of human neutrophil elastase				Bioorg Med Chem Lett 2: 1235-1238 (1992) Article DOI: 10.1016/S0960-894X(00)80220-6 BindingDB Entry DOI: 10.7270/Q2DB81SJ
					More data for this Ligand-Target Pair
Elastase 1 (Homo sapiens (Human))	BDBM50014730 (CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against human elastase for less active diasteriomer				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa (Pig))	BDBM50014730 (CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity for porcine Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50014730 (CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against human elastase for less active diasteriomer				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair