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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'abrams' and Initial = 'wr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025846
PNG
(2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid me...)
Show SMILES CCC[C@H](NC(=O)n1ccnc1)C(=O)OC
Show InChI InChI=1S/C10H15N3O3/c1-3-4-8(9(14)16-2)12-10(15)13-6-5-11-7-13/h5-8H,3-4H2,1-2H3,(H,12,15)/t8-/m0/s1
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3.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ki value was evaluated for the inhibition of human leukocyte elastase


J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50225469
PNG
(CHEMBL302653)
Show SMILES CCCCNC(=O)n1ccnc1CC
PDB

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4.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50025846
PNG
(2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid me...)
Show SMILES CCC[C@H](NC(=O)n1ccnc1)C(=O)OC
Show InChI InChI=1S/C10H15N3O3/c1-3-4-8(9(14)16-2)12-10(15)13-6-5-11-7-13/h5-8H,3-4H2,1-2H3,(H,12,15)/t8-/m0/s1
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8.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025852
PNG
(2-[(Imidazole-1-carbonyl)-amino]-hexanoic acid met...)
Show SMILES CCCCC(NC(=O)n1ccnc1)C(=O)OC
Show InChI InChI=1S/C11H17N3O3/c1-3-4-5-9(10(15)17-2)13-11(16)14-7-6-12-8-14/h6-9H,3-5H2,1-2H3,(H,13,16)
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1.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ki value was evaluated for the inhibition of human leukocyte elastase


J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50025849
PNG
(2-[(Imidazole-1-carbonyl)-amino]-3-methyl-butyric ...)
Show SMILES COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C
Show InChI InChI=1S/C10H15N3O3/c1-7(2)8(9(14)16-3)12-10(15)13-5-4-11-6-13/h4-8H,1-3H3,(H,12,15)/t8-/m0/s1
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1.11E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50225473
PNG
(CHEMBL65258)
Show SMILES [H][C@@](CC(C)C)(NC(=O)n1ccnc1)C(=O)OC
PDB

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1.17E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50225471
PNG
(CHEMBL63295)
Show SMILES [H][C@](NC(=O)n1ccnc1)(C(C)CC)C(=O)OC
PDB

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1.22E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50225472
PNG
(CHEMBL63484 | Imidazole-1-Carboxylic Acid Butylami...)
Show SMILES CCCCNC(=O)n1ccnc1
PDB

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1.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025849
PNG
(2-[(Imidazole-1-carbonyl)-amino]-3-methyl-butyric ...)
Show SMILES COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C
Show InChI InChI=1S/C10H15N3O3/c1-7(2)8(9(14)16-3)12-10(15)13-5-4-11-6-13/h4-8H,1-3H3,(H,12,15)/t8-/m0/s1
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1.80E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ki value was evaluated for the inhibition of human leukocyte elastase


J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50025852
PNG
(2-[(Imidazole-1-carbonyl)-amino]-hexanoic acid met...)
Show SMILES CCCCC(NC(=O)n1ccnc1)C(=O)OC
Show InChI InChI=1S/C11H17N3O3/c1-3-4-5-9(10(15)17-2)13-11(16)14-7-6-12-8-14/h6-9H,3-5H2,1-2H3,(H,13,16)
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1.94E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50225470
PNG
(CHEMBL294543)
Show SMILES CCCCNC(=O)n1ccnc1C
PDB

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2.41E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50225467
PNG
(CHEMBL293476)
Show SMILES CCCCCCCc1nccn1C(=O)NCCCC
PDB

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2.41E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50225468
PNG
(CHEMBL63581)
Show SMILES CCCCNC(=O)n1cnc(C)c1
PDB

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7.23E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 204-9 (1985)


BindingDB Entry DOI: 10.7270/Q29S1Q1V
More data for this
Ligand-Target Pair