BDBM50398079 CHEMBL2182018

SMILES: CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=MMYMNEQKCCGWBV-SQQUJEGXSA-N

Data: 1 KI  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 4 hits for monomerid = 50398079   

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))	BDBM50398079 (CHEMBL2182018) Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Noncompetitive inhibition of human neutrophil elastase assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Val-p-nitroanilide incubated for 2 hrs measur...				J Med Chem 55: 7900-8 (2012) Article DOI: 10.1021/jm301000k BindingDB Entry DOI: 10.7270/Q2B27WD6
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50398079 (CHEMBL2182018) Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/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	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of cathepsin G assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate ...				J Med Chem 55: 7900-8 (2012) Article DOI: 10.1021/jm301000k BindingDB Entry DOI: 10.7270/Q2B27WD6
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50398079 (CHEMBL2182018) Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Val-p-nitroanilide incubated for 2 hrs measured for 20 mins ...				J Med Chem 55: 7900-8 (2012) Article DOI: 10.1021/jm301000k BindingDB Entry DOI: 10.7270/Q2B27WD6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50398079 (CHEMBL2182018) Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aarhus University Curated by ChEMBL					Assay Description Inhibition of thrombin assessed as hydrolysis of H-D-Pro-L-Phe-L-Arg-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate reader ana...				J Med Chem 55: 7900-8 (2012) Article DOI: 10.1021/jm301000k BindingDB Entry DOI: 10.7270/Q2B27WD6
					More data for this Ligand-Target Pair