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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'feeney' and Initial = 'sw'   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061031
PNG
((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C39H45F2N5O8S/c1-24(2)31(33(47)39(40,41)38(52)42-22-21-26-12-7-5-8-13-26)43-36(50)30-16-11-23-46(30)37(51)32(25(3)4)44-34(48)27-17-19-28(20-18-27)35(49)45-55(53,54)29-14-9-6-10-15-29/h5-10,12-15,17-20,24-25,30-32H,11,16,21-23H2,1-4H3,(H,42,52)(H,43,50)(H,44,48)(H,45,49)/t30-,31-,32-/m0/s1
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 0.0600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036095
PNG
(2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NS(=O)(=O)C2CCCCC2)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C28H40BFN4O6S/c1-18(2)24(29-39-27(3,4)28(5,6)40-29)32-23(35)17-34-25(19-12-14-20(30)15-13-19)31-16-22(26(34)36)33-41(37,38)21-10-8-7-9-11-21/h12-16,18,21,24,33H,7-11,17H2,1-6H3,(H,32,35)
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 0.210n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.230n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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 0.300n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061047
PNG
(((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...)
Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C29H42F2N4O7/c1-6-7-16-41-27(39)32-17-29(30,31)24(36)22(18(2)3)33-25(37)21-14-11-15-35(21)26(38)23(19(4)5)34-28(40)42-20-12-9-8-10-13-20/h8-10,12-13,18-19,21-23H,6-7,11,14-17H2,1-5H3,(H,32,39)(H,33,37)(H,34,40)/t21-,22-,23-/m0/s1
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 0.350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061028
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1
Show InChI InChI=1S/C32H42F2N4O5/c1-20(2)26(28(39)32(33,34)19-35-18-22-10-7-6-8-11-22)36-30(41)25-12-9-17-38(25)31(42)27(21(3)4)37-29(40)23-13-15-24(43-5)16-14-23/h6-8,10-11,13-16,20-21,25-27,35H,9,12,17-19H2,1-5H3,(H,36,41)(H,37,40)/t25-,26-,27-/m0/s1
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 0.350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061043
PNG
(CHEMBL106592 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1cccnc1
Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)17-34-26(39)20-10-8-14-33-16-20)35-27(40)22-13-9-15-37(22)28(41)24(19(3)4)36-29(42)43-21-11-6-5-7-12-21/h5-8,10-12,14,16,18-19,22-24H,9,13,15,17H2,1-4H3,(H,34,39)(H,35,40)(H,36,42)/t22-,23-,24-/m0/s1
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 0.350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061037
PNG
(CHEMBL302961 | {(S)-1-[(S)-2-((S)-3-Carbamoyl-3,3-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(N)=O
Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(28)35)29-21(33)17-11-8-12-31(17)22(34)19(15(3)4)30-24(36)37-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H2,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1
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 0.380n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031210
PNG
(2-((S)-2-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-m...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C32H38N4O8/c1-18(2)25(27(37)29-33-22-16-21(31(40)42-5)13-14-24(22)44-29)34-28(38)23-12-9-15-36(23)30(39)26(19(3)4)35-32(41)43-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,34,38)(H,35,41)/t23-,25-,26-/m0/s1
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 0.580n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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 0.630n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061035
PNG
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)
Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-14-13-19(30(39)41-5)16-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1
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 0.640n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061044
PNG
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-16-19(30(39)41-5)13-14-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1
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 0.640n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061049
PNG
(2-[(S)-2-({(S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C32H38N4O8/c1-17(2)25(27(37)30-33-22-16-20(32(41)43-6)11-14-24(22)44-30)34-29(39)23-8-7-15-36(23)31(40)26(18(3)4)35-28(38)19-9-12-21(42-5)13-10-19/h9-14,16-18,23,25-26H,7-8,15H2,1-6H3,(H,34,39)(H,35,38)/t23-,25-,26-/m0/s1
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 0.650n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061054
PNG
(CHEMBL110125 | CHEMBL66128 | {(S)-1-[(S)-2-((S)-4-...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN
Show InChI InChI=1S/C24H34F2N4O5/c1-14(2)18(20(31)24(25,26)13-27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13,27H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1
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 0.810n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011824
PNG
(8-Cyclopentyl-1-methyl-3-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-12-10(13(19)17(2)14(18)20)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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 0.850n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061036
PNG
(CHEMBL304114 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)
Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(35)28-5)29-21(33)17-12-9-13-31(17)22(34)19(15(3)4)30-24(36)37-16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19H,9,12-13H2,1-5H3,(H,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1
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 0.850n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036124
PNG
((2-(4-Fluoro-phenyl)-1-{[2-methyl-1-(4,4,5,5-tetra...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2c(C)cncc2C)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C31H39BFN5O6/c1-18(2)26(32-43-30(5,6)31(7,8)44-32)37-25(39)16-38-27(21-9-11-22(33)12-10-21)35-15-24(28(38)40)36-29(41)42-17-23-19(3)13-34-14-20(23)4/h9-15,18,26H,16-17H2,1-8H3,(H,36,41)(H,37,39)
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 0.960n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061027
PNG
(((S)-4-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-met...)
Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C30H44F2N4O7/c1-6-7-16-42-28(40)33-18-30(31,32)25(37)23(19(2)3)34-26(38)22-14-11-15-36(22)27(39)24(20(4)5)35-29(41)43-17-21-12-9-8-10-13-21/h8-10,12-13,19-20,22-24H,6-7,11,14-18H2,1-5H3,(H,33,40)(H,34,38)(H,35,41)/t22-,23-,24-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011842
PNG
(8-Cyclopentyl-3-methyl-1-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-12(17(2)14(18)20)16-11(15-10)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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 1.10n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011838
PNG
(8-(4-Hydroxy-phenyl)-3-methyl-1-propyl-3,7-dihydro...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H16N4O3/c1-3-8-19-14(21)11-13(18(2)15(19)22)17-12(16-11)9-4-6-10(20)7-5-9/h4-7,20H,3,8H2,1-2H3,(H,16,17)
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 1.30n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058344
PNG
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061023
PNG
(CHEMBL323231 | CHEMBL68577 | {(S)-1-[(S)-2-((S)-4-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1
Show InChI InChI=1S/C32H42F2N4O5/c1-21(2)26(28(39)32(33,34)20-35-18-23-12-7-5-8-13-23)36-29(40)25-16-11-17-38(25)30(41)27(22(3)4)37-31(42)43-19-24-14-9-6-10-15-24/h5-10,12-15,21-22,25-27,35H,11,16-20H2,1-4H3,(H,36,40)(H,37,42)/t25-,26-,27-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036109
PNG
(2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NS(=O)(=O)C2CCCCC2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H28F4N4O5S/c1-14(2)20(21(34)24(26,27)28)30-19(33)13-32-22(15-8-10-16(25)11-9-15)29-12-18(23(32)35)31-38(36,37)17-6-4-3-5-7-17/h8-12,14,17,20,31H,3-7,13H2,1-2H3,(H,30,33)
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 1.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061052
PNG
(CHEMBL110364 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1
Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)28(41)34-17-20-11-8-9-15-33-20)35-26(39)22-14-10-16-37(22)27(40)24(19(3)4)36-29(42)43-21-12-6-5-7-13-21/h5-9,11-13,15,18-19,22-24H,10,14,16-17H2,1-4H3,(H,34,41)(H,35,39)(H,36,42)/t22-,23-,24-/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011835
PNG
(8-Cyclohexyl-1-methyl-3-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H22N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,16,17)
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 1.80n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061040
PNG
(CHEMBL2370419 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...)
Show SMILES CC(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H34F3N3O5/c1-12(2)16(18(29)22(23,24)25)26-19(30)15-10-7-11-28(15)20(31)17(13(3)4)27-21(32)33-14-8-5-6-9-14/h12-17H,5-11H2,1-4H3,(H,26,30)(H,27,32)/t15-,16-,17-/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011825
PNG
(1,3-Dipropyl-8-thiophen-3-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccsc1
Show InChI InChI=1S/C15H18N4O2S/c1-3-6-18-13-11(14(20)19(7-4-2)15(18)21)16-12(17-13)10-5-8-22-9-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17)
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 2n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061045
PNG
(CHEMBL110174 | {(S)-1-[(S)-2-((S)-4-Acetylamino-3,...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(C)=O
Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)20(22(34)26(27,28)14-29-17(5)33)30-23(35)19-12-9-13-32(19)24(36)21(16(3)4)31-25(37)38-18-10-7-6-8-11-18/h6-8,10-11,15-16,19-21H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)(H,31,37)/t19-,20-,21-/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011836
PNG
(8-(4-Hydroxy-phenyl)-1-methyl-3-propyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H16N4O3/c1-3-8-19-13-11(14(21)18(2)15(19)22)16-12(17-13)9-4-6-10(20)7-5-9/h4-7,20H,3,8H2,1-2H3,(H,16,17)
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 2.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036058
PNG
(CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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 2.80n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061038
PNG
(CHEMBL308415 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)
Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)19(21(33)26(27,28)24(36)29-5)30-22(34)18-12-9-13-32(18)23(35)20(16(3)4)31-25(37)38-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,29,36)(H,30,34)(H,31,37)/t18-,19-,20-/m0/s1
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 3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061039
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1
Show InChI InChI=1S/C31H39F2N5O6/c1-18(2)24(26(39)31(32,33)30(43)35-17-21-9-6-7-15-34-21)36-28(41)23-10-8-16-38(23)29(42)25(19(3)4)37-27(40)20-11-13-22(44-5)14-12-20/h6-7,9,11-15,18-19,23-25H,8,10,16-17H2,1-5H3,(H,35,43)(H,36,41)(H,37,40)/t23-,24-,25-/m0/s1
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 3.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011841
PNG
(1,3-Dipropyl-8-pyridin-4-yl-3,7-dihydro-purine-2,6...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccncc1
Show InChI InChI=1S/C16H19N5O2/c1-3-9-20-14-12(15(22)21(10-4-2)16(20)23)18-13(19-14)11-5-7-17-8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
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 3.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50005366
PNG
(1,3-Dipropyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
Show InChI InChI=1S/C15H18N4O2S/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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 3.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061046
PNG
(CHEMBL110400 | [(S)-2,2-Difluoro-4-({(S)-1-[(S)-2-...)
Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C30H44F2N4O7/c1-7-8-16-43-29(41)33-17-30(31,32)25(37)23(18(2)3)34-27(39)22-10-9-15-36(22)28(40)24(19(4)5)35-26(38)20-11-13-21(42-6)14-12-20/h11-14,18-19,22-24H,7-10,15-17H2,1-6H3,(H,33,41)(H,34,39)(H,35,38)/t22-,23-,24-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036100
PNG
(CHEMBL11398 | {2-(4-Amino-phenyl)-6-oxo-1-[(3,3,3-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(N)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O5/c1-15(2)21(22(36)26(27,28)29)33-20(35)13-34-23(17-8-10-18(30)11-9-17)31-12-19(24(34)37)32-25(38)39-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14,30H2,1-2H3,(H,32,38)(H,33,35)
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 3.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061048
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C26H36F2N4O6/c1-14(2)19(21(33)26(27,28)25(37)29-5)30-23(35)18-8-7-13-32(18)24(36)20(15(3)4)31-22(34)16-9-11-17(38-6)12-10-16/h9-12,14-15,18-20H,7-8,13H2,1-6H3,(H,29,37)(H,30,35)(H,31,34)/t18-,19-,20-/m0/s1
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 3.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061041
PNG
(CHEMBL108504 | CHEMBL305259 | {(S)-1-[(S)-2-((S)-4...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1
Show InChI InChI=1S/C31H40F2N4O5/c1-20(2)25(27(38)31(32,33)19-34-18-22-12-7-5-8-13-22)35-28(39)24-16-11-17-37(24)29(40)26(21(3)4)36-30(41)42-23-14-9-6-10-15-23/h5-10,12-15,20-21,24-26,34H,11,16-19H2,1-4H3,(H,35,39)(H,36,41)/t24-,25-,26-/m0/s1
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 4.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011833
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H19N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
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 4.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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 4.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011846
PNG
(1-Methyl-3-propyl-8-thiophen-3-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
Show InChI InChI=1S/C13H14N4O2S/c1-3-5-17-11-9(12(18)16(2)13(17)19)14-10(15-11)8-4-6-20-7-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)
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 4.70n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036090
PNG
(2-(5-Amino-6-oxo-2-thiophen-2-yl-6H-pyrimidin-1-yl...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1cccs1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C20H29BN4O4S/c1-12(2)16(21-28-19(3,4)20(5,6)29-21)24-15(26)11-25-17(14-8-7-9-30-14)23-10-13(22)18(25)27/h7-10,12,16H,11,22H2,1-6H3,(H,24,26)
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 4.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011839
PNG
(8-Cyclohexyl-3-methyl-1-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C15H22N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,16,17)
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 5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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 5.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50061029
PNG
(CHEMBL321817 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)
Show SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H32F3N3O5/c1-10(2)14(16(27)20(21,22)23)24-17(28)13-8-7-9-26(13)18(29)15(11(3)4)25-19(30)31-12(5)6/h10-15H,7-9H2,1-6H3,(H,24,28)(H,25,30)/t13-,14-,15-/m0/s1
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 5.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase

J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50011845
PNG
(4-(3-Methyl-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N5O2/c1-3-8-21-15(22)12-14(20(2)16(21)23)19-13(18-12)11-6-4-10(9-17)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,19)
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 6n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).

J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036104
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C22H30BFN4O4/c1-13(2)18(23-31-21(3,4)22(5,6)32-23)27-17(29)12-28-19(26-11-16(25)20(28)30)14-7-9-15(24)10-8-14/h7-11,13,18H,12,25H2,1-6H3,(H,27,29)
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 6.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
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