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Compile Data Set for Download or QSAR

Found 362 hits with Last Name = 'abraham' and Initial = 'w'   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131975
PNG
(1-(2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20-,21+,22-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131980
PNG
(1-Acetyl-pyrrolidine-2-carboxylic acid [1-(benzoth...)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O3S/c1-12(27)26-11-5-8-15(26)18(29)24-14(7-4-10-23-20(21)22)17(28)19-25-13-6-2-3-9-16(13)30-19/h2-3,6,9,14-15H,4-5,7-8,10-11H2,1H3,(H,24,29)(H4,21,22,23)/t14-,15-/m0/s1
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4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131977
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
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6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131975
PNG
(1-(2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20-,21+,22-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131982
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(benzothi...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131977
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205278
PNG
(2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)
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8.90n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131989
PNG
(1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid ...)
Show SMILES CC(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H24N6O3S/c1-12(27)26-11-5-8-15(26)18(29)24-14(7-4-10-23-20(21)22)17(28)19-25-13-6-2-3-9-16(13)30-19/h2-3,5-6,8-9,14-15H,4,7,10-11H2,1H3,(H,24,29)(H4,21,22,23)/t14-,15-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205277
PNG
((S)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfon...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131983
PNG
(1-Acetyl-4-oxo-pyrrolidine-2-carboxylic acid [1-(b...)
Show SMILES CC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H24N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,14-15H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t14-,15-/m0/s1
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9.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131977
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
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14n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131985
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCN)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H24N4O4S/c1-11(24)23-10-12(25)9-15(23)18(27)21-14(6-4-8-20)17(26)19-22-13-5-2-3-7-16(13)28-19/h2-3,5,7,12,14-15,25H,4,6,8-10,20H2,1H3,(H,21,27)/t12-,14?,15+/m1/s1
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16n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131980
PNG
(1-Acetyl-pyrrolidine-2-carboxylic acid [1-(benzoth...)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O3S/c1-12(27)26-11-5-8-15(26)18(29)24-14(7-4-10-23-20(21)22)17(28)19-25-13-6-2-3-9-16(13)30-19/h2-3,6,9,14-15H,4-5,7-8,10-11H2,1H3,(H,24,29)(H4,21,22,23)/t14-,15-/m0/s1
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19n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131984
PNG
(1-Acetyl-azetidine-2-carboxylic acid [1-(benzothia...)
Show SMILES CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H24N6O3S/c1-11(26)25-10-8-14(25)17(28)23-13(6-4-9-22-19(20)21)16(27)18-24-12-5-2-3-7-15(12)29-18/h2-3,5,7,13-14H,4,6,8-10H2,1H3,(H,23,28)(H4,20,21,22)/t13-,14-/m0/s1
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20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131977
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
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22n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131979
PNG
(CHEMBL340547 | Cyclopentanecarboxylic acid [1-(ben...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)
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30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131988
PNG
(2-[1-(Benzothiazole-2-carbonyl)-4-guanidino-butylc...)
Show SMILES COS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H26N6O5S2/c1-30-32(28,29)25-11-5-8-14(25)17(27)23-13(7-4-10-22-19(20)21)16(26)18-24-12-6-2-3-9-15(12)31-18/h2-3,6,9,13-14H,4-5,7-8,10-11H2,1H3,(H,23,27)(H4,20,21,22)/t13-,14-/m0/s1
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33n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131989
PNG
(1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid ...)
Show SMILES CC(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H24N6O3S/c1-12(27)26-11-5-8-15(26)18(29)24-14(7-4-10-23-20(21)22)17(28)19-25-13-6-2-3-9-16(13)30-19/h2-3,5-6,8-9,14-15H,4,7,10-11H2,1H3,(H,24,29)(H4,21,22,23)/t14-,15-/m0/s1
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38n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131988
PNG
(2-[1-(Benzothiazole-2-carbonyl)-4-guanidino-butylc...)
Show SMILES COS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H26N6O5S2/c1-30-32(28,29)25-11-5-8-14(25)17(27)23-13(7-4-10-22-19(20)21)16(26)18-24-12-6-2-3-9-15(12)31-18/h2-3,6,9,13-14H,4-5,7-8,10-11H2,1H3,(H,23,27)(H4,20,21,22)/t13-,14-/m0/s1
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38n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131982
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(benzothi...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16-/m0/s1
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41n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131984
PNG
(1-Acetyl-azetidine-2-carboxylic acid [1-(benzothia...)
Show SMILES CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H24N6O3S/c1-11(26)25-10-8-14(25)17(28)23-13(6-4-9-22-19(20)21)16(27)18-24-12-5-2-3-7-15(12)29-18/h2-3,5,7,13-14H,4,6,8-10H2,1H3,(H,23,28)(H4,20,21,22)/t13-,14-/m0/s1
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53n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131983
PNG
(1-Acetyl-4-oxo-pyrrolidine-2-carboxylic acid [1-(b...)
Show SMILES CC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H24N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,14-15H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t14-,15-/m0/s1
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73n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131974
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C16H24N6O4S/c1-9(23)22-8-10(24)7-12(22)14(26)21-11(3-2-4-20-16(17)18)13(25)15-19-5-6-27-15/h5-6,10-12,24H,2-4,7-8H2,1H3,(H,21,26)(H4,17,18,20)/t10-,11?,12+/m1/s1
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81n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131979
PNG
(CHEMBL340547 | Cyclopentanecarboxylic acid [1-(ben...)
Show SMILES NC(=N)NCCCC(NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)
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88n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131985
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCN)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H24N4O4S/c1-11(24)23-10-12(25)9-15(23)18(27)21-14(6-4-8-20)17(26)19-22-13-5-2-3-7-16(13)28-19/h2-3,5,7,12,14-15,25H,4,6,8-10,20H2,1H3,(H,21,27)/t12-,14?,15+/m1/s1
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90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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136n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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140n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131978
PNG
(1-Benzyl-pyrrolidine-2-carboxylic acid [1-(benzoth...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C25H30N6O2S/c26-25(27)28-14-6-11-19(22(32)24-30-18-10-4-5-13-21(18)34-24)29-23(33)20-12-7-15-31(20)16-17-8-2-1-3-9-17/h1-5,8-10,13,19-20H,6-7,11-12,14-16H2,(H,29,33)(H4,26,27,28)/t19-,20-/m0/s1
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160n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131977
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
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170n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131974
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C16H24N6O4S/c1-9(23)22-8-10(24)7-12(22)14(26)21-11(3-2-4-20-16(17)18)13(25)15-19-5-6-27-15/h5-6,10-12,24H,2-4,7-8H2,1H3,(H,21,26)(H4,17,18,20)/t10-,11?,12+/m1/s1
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180n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
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230n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131978
PNG
(1-Benzyl-pyrrolidine-2-carboxylic acid [1-(benzoth...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C25H30N6O2S/c26-25(27)28-14-6-11-19(22(32)24-30-18-10-4-5-13-21(18)34-24)29-23(33)20-12-7-15-31(20)16-17-8-2-1-3-9-17/h1-5,8-10,13,19-20H,6-7,11-12,14-16H2,(H,29,33)(H4,26,27,28)/t19-,20-/m0/s1
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250n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50131981
PNG
(CHEMBL340098 | N-{[1-(Benzothiazole-2-carbonyl)-4-...)
Show SMILES CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C17H22N6O3S/c1-10(24)21-9-14(25)22-12(6-4-8-20-17(18)19)15(26)16-23-11-5-2-3-7-13(11)27-16/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,21,24)(H,22,25)(H4,18,19,20)/t12-/m0/s1
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260n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine trypsin.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
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310n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131987
PNG
(1-{5-Guanidino-2-[(1-hydroxy-naphthalene-2-carbony...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccc2ccccc2c1O)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1S/C22H28N6O4/c23-19(30)17-8-4-12-28(17)21(32)16(7-3-11-26-22(24)25)27-20(31)15-10-9-13-5-1-2-6-14(13)18(15)29/h1-2,5-6,9-10,16-17,29H,3-4,7-8,11-12H2,(H2,23,30)(H,27,31)(H4,24,25,26)/t16-,17?/m0/s1
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330n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131977
PNG
(1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [...)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1
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380n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
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390n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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400n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human IP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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410n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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470n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human EP3 receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50131981
PNG
(CHEMBL340098 | N-{[1-(Benzothiazole-2-carbonyl)-4-...)
Show SMILES CC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C17H22N6O3S/c1-10(24)21-9-14(25)22-12(6-4-8-20-17(18)19)15(26)16-23-11-5-2-3-7-13(11)27-16/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,21,24)(H,22,25)(H4,18,19,20)/t12-/m0/s1
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470n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Tryptase beta.


J Med Chem 46: 3865-76 (2003)


Article DOI: 10.1021/jm030050p
BindingDB Entry DOI: 10.7270/Q23T9J0V
More data for this
Ligand-Target Pair
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