new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'brubaker' and Initial = 'mj'   
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))
BDBM50280338
PNG
(2-((S)-3-Amino-5-methyl-2-oxo-hexyl)-isoindole-1,3...)
Show SMILES CC(C)C[C@H](N)C(=O)CN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C15H18N2O3/c1-9(2)7-12(16)13(18)8-17-14(19)10-5-3-4-6-11(10)15(17)20/h3-6,9,12H,7-8,16H2,1-2H3/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.75E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of human leukocyte elastase (HLE)


Bioorg Med Chem Lett 2: 175-180 (1992)


Article DOI: 10.1016/S0960-894X(01)80445-5
BindingDB Entry DOI: 10.7270/Q2HX1CK4
More data for this
Ligand-Target Pair
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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))
BDBM50225467
PNG
(CHEMBL293476)
Show SMILES CCCCCCCc1nccn1C(=O)NCCCC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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))
BDBM50225470
PNG
(CHEMBL294543)
Show SMILES CCCCNC(=O)n1ccnc1C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50024652
PNG
(3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one | CHEM...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O
Show InChI InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-15(19)17-16(20)13-14(2)22-18(17)21/h13,20H,3-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.68E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human leukocyte elastase


J Med Chem 28: 1106-9 (1985)


BindingDB Entry DOI: 10.7270/Q2610ZBW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025858
PNG
(3-Hexadecanoyl-4-hydroxy-6-methyl-pyran-2-one | CH...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O
Show InChI InChI=1S/C22H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)21-20(24)17-18(2)26-22(21)25/h17,24H,3-16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.58E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human leukocyte elastase


J Med Chem 28: 1106-9 (1985)


BindingDB Entry DOI: 10.7270/Q2610ZBW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025857
PNG
(4-Hydroxy-6-undecyl-1H-pyridin-2-one | CHEMBL13276)
Show SMILES CCCCCCCCCCCc1cc(O)cc(=O)[nH]1
Show InChI InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15(18)13-16(19)17-14/h12-13H,2-11H2,1H3,(H2,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.53E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human leukocyte elastase


J Med Chem 28: 1106-9 (1985)


BindingDB Entry DOI: 10.7270/Q2610ZBW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50025856
PNG
(6-(1-Butyl-heptyl)-4-hydroxy-pyran-2-one | CHEMBL1...)
Show SMILES CCCCCCC(CCCC)c1cc(O)cc(=O)o1
Show InChI InChI=1S/C16H26O3/c1-3-5-7-8-10-13(9-6-4-2)15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.62E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human leukocyte elastase


J Med Chem 28: 1106-9 (1985)


BindingDB Entry DOI: 10.7270/Q2610ZBW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50024661
PNG
(4-Hydroxy-6-undecyl-pyran-2-one | CHEMBL7424)
Show SMILES CCCCCCCCCCCc1cc(O)cc(=O)o1
Show InChI InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-15-12-14(17)13-16(18)19-15/h12-13,17H,2-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.15E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human leukocyte elastase


J Med Chem 28: 1106-9 (1985)


BindingDB Entry DOI: 10.7270/Q2610ZBW
More data for this
Ligand-Target Pair