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7 similar compounds to monomer 50406212

Compile data set for download or QSAR
Wt: 431.5
BDBM50406258
Wt: 318.3
BDBM50406285
Wt: 304.3
BDBM50406286
Wt: 290.3
BDBM50406190
Wt: 290.3
BDBM50406192
Wt: 431.5
BDBM50406295
Wt: 290.3
BDBM50406251

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50406258,50406285,50406286,50406190,50406192,50406295,50406251   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406285
PNG
(CHEMBL145583)
Show SMILES CCc1cccc2nc(N[C@@H](CC(C)C)C(=O)OC)oc(=O)c12
Show InChI InChI=1S/C17H22N2O4/c1-5-11-7-6-8-12-14(11)16(21)23-17(18-12)19-13(9-10(2)3)15(20)22-4/h6-8,10,13H,5,9H2,1-4H3,(H,18,19)/t13-/m0/s1
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12.6n/an/an/an/a 0.0000562 4.68E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406295
PNG
(CHEMBL424495)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1
Show InChI InChI=1S/C23H33N3O5/c1-12(2)8-17(20(27)24-18(9-13(3)4)21(28)30-7)26-23-25-16-11-14(5)10-15(6)19(16)22(29)31-23/h10-13,17-18H,8-9H2,1-7H3,(H,24,27)(H,25,26)/t17-,18-/m0/s1
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39.8n/an/an/an/an/a 1.26E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406190
PNG
(CHEMBL356045)
Show SMILES COC(=O)[C@@H](CC(C)C)Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H18N2O4/c1-9(2)8-12(14(19)20-3)17-15-16-11-7-5-4-6-10(11)13(18)21-15/h4-7,9,12H,8H2,1-3H3,(H,16,17)/t12-/m1/s1
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39.8n/an/an/an/a 0.00138 3.98E+4n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406258
PNG
(CHEMBL145568)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1
Show InChI InChI=1S/C23H33N3O5/c1-12(2)8-17(20(27)24-18(9-13(3)4)21(28)30-7)26-23-25-16-11-14(5)10-15(6)19(16)22(29)31-23/h10-13,17-18H,8-9H2,1-7H3,(H,24,27)(H,25,26)/t17-,18-/m1/s1
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100n/an/an/an/a 0.0000372 363n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406192
PNG
(CHEMBL145523)
Show SMILES COC(=O)[C@H](CC(C)C)Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H18N2O4/c1-9(2)8-12(14(19)20-3)17-15-16-11-7-5-4-6-10(11)13(18)21-15/h4-7,9,12H,8H2,1-3H3,(H,16,17)/t12-/m0/s1
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159n/an/an/an/a 0.000389 2.29E+3n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406251
PNG
(CHEMBL145695)
Show SMILES CC[C@H](C)[C@H](Nc1nc2ccccc2c(=O)o1)C(=O)OC
Show InChI InChI=1S/C15H18N2O4/c1-4-9(2)12(14(19)20-3)17-15-16-11-8-6-5-7-10(11)13(18)21-15/h5-9,12H,4H2,1-3H3,(H,16,17)/t9-,12-/m0/s1
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200n/an/an/an/a 0.000162 759n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406286
PNG
(CHEMBL141930)
Show SMILES COC(=O)[C@H](CC(C)C)Nc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C16H20N2O4/c1-9(2)8-12(14(19)21-4)18-16-17-11-7-5-6-10(3)13(11)15(20)22-16/h5-7,9,12H,8H2,1-4H3,(H,17,18)/t12-/m0/s1
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251n/an/an/an/a 0.000100 372n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair