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Compile Data Set for Download or QSAR

Found 255 hits with Last Name = 'tam' and Initial = 'tf'   
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))
BDBM50406217
PNG
(CHEMBL145002)
Show SMILES CCOc1nc2c(C)ccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H13NO3/c1-4-15-12-13-10-8(3)6-5-7(2)9(10)11(14)16-12/h5-6H,4H2,1-3H3
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0.100n/an/an/an/a 0.00000617 6.46E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406288
PNG
(CHEMBL344066)
Show SMILES CCOc1nc2cccc(CBr)c2c(=O)o1
Show InChI InChI=1S/C11H10BrNO3/c1-2-15-11-13-8-5-3-4-7(6-12)9(8)10(14)16-11/h3-5H,2,6H2,1H3
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0.100n/an/an/an/a 0.0000759 1.12E+6n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406293
PNG
(CHEMBL356120)
Show SMILES CCOc1nc2cccc(C(C)C)c2c(=O)o1
Show InChI InChI=1S/C13H15NO3/c1-4-16-13-14-10-7-5-6-9(8(2)3)11(10)12(15)17-13/h5-8H,4H2,1-3H3
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0.100n/an/an/an/a 0.0000550 7.76E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50288098
PNG
(2-Ethoxy-5-ethyl-benzo[d][1,3]oxazin-4-one | CHEMB...)
Show SMILES CCOc1nc2cccc(CC)c2c(=O)o1
Show InChI InChI=1S/C12H13NO3/c1-3-8-6-5-7-9-10(8)11(14)16-12(13-9)15-4-2/h5-7H,3-4H2,1-2H3
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0.100n/an/an/an/a 0.0000145 3.39E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50288087
PNG
(2-Ethoxy-5-methyl-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES CCOc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3
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0.126n/an/an/an/a 0.0000117 1.02E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406234
PNG
(CHEMBL145774)
Show SMILES CCOc1nc2cccc(\C=C\C)c2c(=O)o1
Show InChI InChI=1S/C13H13NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h3,5-8H,4H2,1-2H3/b6-3+
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0.200n/an/an/an/a 0.0000661 3.47E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406239
PNG
(CHEMBL357464)
Show SMILES CCCc1cccc2nc(OCC)oc(=O)c12
Show InChI InChI=1S/C13H15NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h5,7-8H,3-4,6H2,1-2H3
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0.251n/an/an/an/a 0.0000708 3.09E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406240
PNG
(CHEMBL347760)
Show SMILES CCOc1nc2cc(OC)cc(C)c2c(=O)o1
Show InChI InChI=1S/C12H13NO4/c1-4-16-12-13-9-6-8(15-3)5-7(2)10(9)11(14)17-12/h5-6H,4H2,1-3H3
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0.398n/an/an/an/a 0.0000182 4.57E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005688
PNG
(CHEMBL3085518 | N*1*-[1-Benzyl-3-(2-tert-butylcarb...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12
Show InChI InChI=1S/C35H43N5O7/c1-35(2,3)39-33(45)27-16-10-18-40(27)34(46)31(43)25(19-22-11-5-4-6-12-22)38-32(44)26(20-29(36)41)37-30(42)21-47-28-17-9-14-23-13-7-8-15-24(23)28/h4-9,11-15,17,25-27,31,43H,10,16,18-21H2,1-3H3,(H2,36,41)(H,37,42)(H,38,44)(H,39,45)/t25-,26-,27-,31-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL




J Med Chem 35: 1318-20 (1992)


BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406245
PNG
(CHEMBL145592)
Show SMILES CCOc1nc2cccc(C(Br)Br)c2c(=O)o1
Show InChI InChI=1S/C11H9Br2NO3/c1-2-16-11-14-7-5-3-4-6(9(12)13)8(7)10(15)17-11/h3-5,9H,2H2,1H3
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0.501n/an/an/an/a 0.00468 1.00E+7n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005701
PNG
(CHEMBL337283 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C33H40N6O6/c1-33(2,3)38-31(44)26-14-9-17-39(26)32(45)28(41)24(18-20-10-5-4-6-11-20)36-30(43)25(19-27(34)40)37-29(42)23-16-15-21-12-7-8-13-22(21)35-23/h4-8,10-13,15-16,24-26,28,41H,9,14,17-19H2,1-3H3,(H2,34,40)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-,28-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Binding affinity against HIV protease enzyme.(by Dixon analysis)


J Med Chem 35: 1318-20 (1992)


BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291760
PNG
(5-Ethyl-2-isopropylamino-benzo[d][1,3]oxazin-4-one...)
Show SMILES CCc1cccc2nc(NC(C)C)oc(=O)c12
Show InChI InChI=1S/C13H16N2O2/c1-4-9-6-5-7-10-11(9)12(16)17-13(15-10)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
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0.940n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291760
PNG
(5-Ethyl-2-isopropylamino-benzo[d][1,3]oxazin-4-one...)
Show SMILES CCc1cccc2nc(NC(C)C)oc(=O)c12
Show InChI InChI=1S/C13H16N2O2/c1-4-9-6-5-7-10-11(9)12(16)17-13(15-10)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
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1n/an/an/an/a 0.0000661 7.08E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406185
PNG
(CHEMBL144906)
Show SMILES CCSc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C11H11NO2S/c1-3-15-11-12-8-6-4-5-7(2)9(8)10(13)14-11/h4-6H,3H2,1-2H3
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1n/an/an/an/a 0.00141 1.51E+6n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406260
PNG
(CHEMBL143793)
Show SMILES CSc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C10H9NO2S/c1-6-4-3-5-7-8(6)9(12)13-10(11-7)14-2/h3-5H,1-2H3
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1.26n/an/an/an/a 0.000355 2.51E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063719
PNG
(2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...)
Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406221
PNG
(CHEMBL145729)
Show SMILES CC(C)COc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C13H15NO3/c1-8(2)7-16-13-14-10-6-4-5-9(3)11(10)12(15)17-13/h4-6,8H,7H2,1-3H3
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1.58n/an/an/an/a 0.0000112 7.08E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063719
PNG
(2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...)
Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)
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1.58n/an/an/an/a 0.0000178 1.18E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406198
PNG
(CHEMBL145035)
Show SMILES CC(C)COC(=O)N(C)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H16N2O4/c1-9(2)8-19-14(18)16(3)13-15-11-7-5-4-6-10(11)12(17)20-13/h4-7,9H,8H2,1-3H3
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2.51n/an/an/an/a 0.000813 3.02E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291763
PNG
(2-Butylamino-5-ethyl-benzo[d][1,3]oxazin-4-one | C...)
Show SMILES CCCCNc1nc2cccc(CC)c2c(=O)o1
Show InChI InChI=1S/C14H18N2O2/c1-3-5-9-15-14-16-11-8-6-7-10(4-2)12(11)13(17)18-14/h6-8H,3-5,9H2,1-2H3,(H,15,16)
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3.98n/an/an/an/a 0.000537 1.29E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Binding affinity against HIV Protease enzyme.(by Dixon analysis)


J Med Chem 35: 1318-20 (1992)


BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291763
PNG
(2-Butylamino-5-ethyl-benzo[d][1,3]oxazin-4-one | C...)
Show SMILES CCCCNc1nc2cccc(CC)c2c(=O)o1
Show InChI InChI=1S/C14H18N2O2/c1-3-5-9-15-14-16-11-8-6-7-10(4-2)12(11)13(17)18-14/h6-8H,3-5,9H2,1-2H3,(H,15,16)
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406226
PNG
(CHEMBL342522)
Show SMILES CCOc1nc2cc(ccc2c(=O)o1)N(C)C
Show InChI InChI=1S/C12H14N2O3/c1-4-16-12-13-10-7-8(14(2)3)5-6-9(10)11(15)17-12/h5-7H,4H2,1-3H3
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5.01n/an/an/an/a 0.0000141 2.88E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291758
PNG
(5-Methyl-2-propylamino-benzo[d][1,3]oxazin-4-one |...)
Show SMILES CCCNc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-3-7-13-12-14-9-6-4-5-8(2)10(9)11(15)16-12/h4-6H,3,7H2,1-2H3,(H,13,14)
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406216
PNG
(CHEMBL146003)
Show SMILES CC(C)Nc1nc2c(C)ccc(C)c2c(=O)o1
Show InChI InChI=1S/C13H16N2O2/c1-7(2)14-13-15-11-9(4)6-5-8(3)10(11)12(16)17-13/h5-7H,1-4H3,(H,14,15)
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6.31n/an/an/an/a 0.00000871 1.32E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406290
PNG
(CHEMBL141707)
Show SMILES CCOc1nc2cc(N)ccc2c(=O)o1
Show InChI InChI=1S/C10H10N2O3/c1-2-14-10-12-8-5-6(11)3-4-7(8)9(13)15-10/h3-5H,2,11H2,1H3
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6.31n/an/an/an/a 0.0000436 7.59E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406208
PNG
(CHEMBL146004)
Show SMILES CC(C)Nc1nc2cc(C)cc(C)c2c(=O)o1
Show InChI InChI=1S/C13H16N2O2/c1-7(2)14-13-15-10-6-8(3)5-9(4)11(10)12(16)17-13/h5-7H,1-4H3,(H,14,15)
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6.31n/an/an/an/a 0.0000151 2.57E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50288095
PNG
(2-Ethoxy-benzo[d][1,3]oxazin-4-one | CHEMBL450273)
Show SMILES CCOc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C10H9NO3/c1-2-13-10-11-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
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6.31n/an/an/an/a 0.00102 1.59E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406271
PNG
(CHEMBL141553)
Show SMILES CN(C(C)=O)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C11H10N2O3/c1-7(14)13(2)11-12-9-6-4-3-5-8(9)10(15)16-11/h3-6H,1-2H3
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6.31n/an/an/an/a 0.00631 1.10E+6n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291758
PNG
(5-Methyl-2-propylamino-benzo[d][1,3]oxazin-4-one |...)
Show SMILES CCCNc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O2/c1-3-7-13-12-14-9-6-4-5-8(2)10(9)11(15)16-12/h4-6H,3,7H2,1-2H3,(H,13,14)
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6.31n/an/an/an/a 0.000339 5.62E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406266
PNG
(CHEMBL358112)
Show SMILES CC(C)Sc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C11H11NO2S/c1-7(2)15-11-12-9-6-4-3-5-8(9)10(13)14-11/h3-7H,1-2H3
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7.94n/an/an/an/a 0.0224 2.88E+6n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406313
PNG
(CHEMBL143792)
Show SMILES CCSc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C10H9NO2S/c1-2-14-10-11-8-6-4-3-5-7(8)9(12)13-10/h3-6H,2H2,1H3
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7.94n/an/an/an/an/a 2.00E+6n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50449417
PNG
(CHEMBL356307)
Show SMILES CCCCN(C(C)=O)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H16N2O3/c1-3-4-9-16(10(2)17)14-15-12-8-6-5-7-11(12)13(18)19-14/h5-8H,3-4,9H2,1-2H3
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10n/an/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406257
PNG
(CHEMBL145252)
Show SMILES COc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C10H9NO3/c1-6-4-3-5-7-8(6)9(12)14-10(11-7)13-2/h3-5H,1-2H3
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10n/an/an/an/an/a 3.47E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406319
PNG
(CHEMBL145492)
Show SMILES CCOc1nc2cc(N)cc(CC)c2c(=O)o1
Show InChI InChI=1S/C12H14N2O3/c1-3-7-5-8(13)6-9-10(7)11(15)17-12(14-9)16-4-2/h5-6H,3-4,13H2,1-2H3
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10n/an/an/an/an/a 6.46E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406307
PNG
(CHEMBL146010)
Show SMILES CCc1cc(OC)cc2nc(NC(C)C)oc(=O)c12
Show InChI InChI=1S/C14H18N2O3/c1-5-9-6-10(18-4)7-11-12(9)13(17)19-14(16-11)15-8(2)3/h6-8H,5H2,1-4H3,(H,15,16)
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10n/an/an/an/a 0.00246 2.24E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406186
PNG
(CHEMBL142970)
Show SMILES CC(C)COc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C12H13NO3/c1-8(2)7-15-12-13-10-6-4-3-5-9(10)11(14)16-12/h3-6,8H,7H2,1-2H3
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12.6n/an/an/an/a 0.000562 4.90E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406273
PNG
(CHEMBL145471)
Show SMILES CCc1cc(N)cc2nc(NC(C)C)oc(=O)c12
Show InChI InChI=1S/C13H17N3O2/c1-4-8-5-9(14)6-10-11(8)12(17)18-13(16-10)15-7(2)3/h5-7H,4,14H2,1-3H3,(H,15,16)
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15.8n/an/an/an/a 0.0000282 1.66E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406202
PNG
(CHEMBL343675)
Show SMILES CCOC(=O)Nc1ccc2c(c1)nc(OCC)oc2=O
Show InChI InChI=1S/C13H14N2O5/c1-3-18-12(17)14-8-5-6-9-10(7-8)15-13(19-4-2)20-11(9)16/h5-7H,3-4H2,1-2H3,(H,14,17)
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15.8n/an/an/an/a 0.00107 6.03E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406215
PNG
(CHEMBL145718)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1)C(=O)NCC(N)=O
Show InChI InChI=1S/C21H27N5O5/c1-12(2)10-15(18(28)23-11-17(22)27)24-19(29)16-8-5-9-26(16)21-25-14-7-4-3-6-13(14)20(30)31-21/h3-4,6-7,12,15-16H,5,8-11H2,1-2H3,(H2,22,27)(H,23,28)(H,24,29)/t15-,16-/m0/s1
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19.9n/an/an/an/a 0.000229 1.10E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406203
PNG
(CHEMBL145214)
Show SMILES CCCOc1cc(CC)c2c(c1)nc(NC(C)C)oc2=O
Show InChI InChI=1S/C16H22N2O3/c1-5-7-20-12-8-11(6-2)14-13(9-12)18-16(17-10(3)4)21-15(14)19/h8-10H,5-7H2,1-4H3,(H,17,18)
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19.9n/an/an/an/a 0.000912 4.27E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406223
PNG
(CHEMBL143922)
Show SMILES CSc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C9H7NO2S/c1-13-9-10-7-5-3-2-4-6(7)8(11)12-9/h2-5H,1H3
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19.9n/an/an/an/a 0.00724 3.47E+5n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406237
PNG
(CHEMBL343003)
Show SMILES CCSc1nc2cc(CC)ccc2c(=O)o1
Show InChI InChI=1S/C12H13NO2S/c1-3-8-5-6-9-10(7-8)13-12(16-4-2)15-11(9)14/h5-7H,3-4H2,1-2H3
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19.9n/an/an/an/an/a 2.00E+6n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406201
PNG
(CHEMBL145694)
Show SMILES CC(C)C[C@H](NC(=O)C1CCCN1c1nc2ccccc2c(=O)o1)C(N)=O
Show InChI InChI=1S/C19H24N4O4/c1-11(2)10-14(16(20)24)21-17(25)15-8-5-9-23(15)19-22-13-7-4-3-6-12(13)18(26)27-19/h3-4,6-7,11,14-15H,5,8-10H2,1-2H3,(H2,20,24)(H,21,25)/t14-,15?/m0/s1
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19.9n/an/an/an/a 0.000324 1.51E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291761
PNG
(2-Butylamino-5-methyl-benzo[d][1,3]oxazin-4-one | ...)
Show SMILES CCCCNc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C13H16N2O2/c1-3-4-8-14-13-15-10-7-5-6-9(2)11(10)12(16)17-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406238
PNG
(CHEMBL144915)
Show SMILES CCSc1nc2c(C)cccc2c(=O)o1
Show InChI InChI=1S/C11H11NO2S/c1-3-15-11-12-9-7(2)5-4-6-8(9)10(13)14-11/h4-6H,3H2,1-2H3
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25.1n/an/an/an/an/a 2.00E+6n/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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406281
PNG
(CHEMBL145601)
Show SMILES COC(=O)[C@H](Nc1nc2ccccc2c(=O)o1)c1ccccc1
Show InChI InChI=1S/C17H14N2O4/c1-22-16(21)14(11-7-3-2-4-8-11)19-17-18-13-10-6-5-9-12(13)15(20)23-17/h2-10,14H,1H3,(H,18,19)/t14-/m1/s1
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25.1n/an/an/an/a 0.000417 1.51E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291761
PNG
(2-Butylamino-5-methyl-benzo[d][1,3]oxazin-4-one | ...)
Show SMILES CCCCNc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C13H16N2O2/c1-3-4-8-14-13-15-10-7-5-6-9(2)11(10)12(16)17-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
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25.1n/an/an/an/a 0.000174 7.59E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406189
PNG
(CHEMBL146381)
Show SMILES Cc1cccc2nc(oc(=O)c12)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C12H6F7NO2/c1-5-3-2-4-6-7(5)8(21)22-9(20-6)10(13,14)11(15,16)12(17,18)19/h2-4H,1H3
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31.6n/an/an/an/a 0.0000977 2.57E+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
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
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