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8 similar compounds to monomer 50291926

Compile data set for download or QSAR
Wt: 379.8
BDBM50015885
Wt: 397.8
BDBM50291937
Wt: 363.8
BDBM50291943
Wt: 383.8
BDBM50291948
Wt: 305.7
BDBM50291914
Wt: 349.7
BDBM50291920
Wt: 337.7
BDBM50291921
Wt: 335.8
BDBM50291927

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50015885,50291937,50291943,50291948,50291914,50291920,50291921,50291927   
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))
BDBM50015885
PNG
(3-Acetoxymethyl-7-chloro-5,5,8-trioxo-5lambda*6*-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C14H18ClNO7S/c1-7(17)22-5-8-6-24(20,21)12-9(15)11(18)16(12)10(8)13(19)23-14(2,3)4/h9,12H,5-6H2,1-4H3/t9-,12+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme


J Med Chem 33: 2513-21 (1990)


Article DOI: 10.1021/jm00171a028
BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291914
PNG
((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methyl-5...)
Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C12H16ClNO4S/c1-6-5-19(17,18)11-7(13)10(16)14(11)8(6)9(15)12(2,3)4/h7,11H,5H2,1-4H3/t7-,11?/m0/s1
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n/an/an/an/an/an/a 2.10n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291920
PNG
(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-(3-oxo-but...)
Show SMILES CC(=O)CCC1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C13H16ClNO6S/c1-7(16)3-4-10-9(5-21-8(2)17)6-22(19,20)13-11(14)12(18)15(10)13/h11,13H,3-6H2,1-2H3/t11-,13?/m0/s1
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n/an/an/an/an/an/a 2.10n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291948
PNG
(Acetic acid (S)-2-benzoyl-7-chloro-5,5,8-trioxo-5l...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14ClNO6S/c1-9(19)24-7-11-8-25(22,23)16-12(17)15(21)18(16)13(11)14(20)10-5-3-2-4-6-10/h2-6,12,16H,7-8H2,1H3/t12-,16?/m0/s1
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n/an/an/an/an/an/a 1.5n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291927
PNG
((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methoxym...)
Show SMILES COCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C13H18ClNO5S/c1-13(2,3)10(16)9-7(5-20-4)6-21(18,19)12-8(14)11(17)15(9)12/h8,12H,5-6H2,1-4H3/t8-,12?/m0/s1
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n/an/an/an/an/an/a 1.5n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291937
PNG
(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-phenylacet...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C17H16ClNO6S/c1-10(20)25-8-12-9-26(23,24)17-14(18)16(22)19(17)15(12)13(21)7-11-5-3-2-4-6-11/h2-6,14,17H,7-9H2,1H3/t14-,17?/m0/s1
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n/an/an/an/an/an/a 4.90n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291943
PNG
(Acetic acid (S)-7-chloro-2-(2,2-dimethyl-propionyl...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClNO6S/c1-7(17)22-5-8-6-23(20,21)13-9(15)12(19)16(13)10(8)11(18)14(2,3)4/h9,13H,5-6H2,1-4H3/t9-,13?/m0/s1
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n/an/an/an/an/an/a 2.30n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291921
PNG
((S)-3-Acetoxymethyl-7-chloro-5,5,8-trioxo-5lambda*...)
Show SMILES COC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C11H12ClNO7S/c1-5(14)20-3-6-4-21(17,18)10-7(12)9(15)13(10)8(6)11(16)19-2/h7,10H,3-4H2,1-2H3/t7-,10?/m0/s1
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n/an/an/an/an/an/a 1.30n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair