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Compile Data Set for Download or QSAR

Found 741 hits with Last Name = 'addo' and Initial = 'm'   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50162995
PNG
(3-[1-(1,2-Dihydro-pyridin-2-yl)-1H-indazol-3-yl]-4...)
Show SMILES O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCCC2)c2ccccc12
Show InChI InChI=1S/C36H31N5O2/c42-35-32(29-23-40(30-14-5-3-12-27(29)30)26-17-16-24-10-1-2-11-25(24)22-26)33(36(43)37-35)34-28-13-4-6-15-31(28)41(38-34)21-9-20-39-18-7-8-19-39/h1-6,10-17,22-23H,7-9,18-21H2,(H,37,42,43)
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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50162990
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H28N6O2/c1-37(2)16-9-17-39-28-15-8-5-12-24(28)31(36-39)30-29(32(40)35-33(30)41)25-20-38(27-14-7-4-11-23(25)27)22-18-21-10-3-6-13-26(21)34-19-22/h3-8,10-15,18-20H,9,16-17H2,1-2H3,(H,35,40,41)
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34n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50163000
PNG
(3-(1-Piperazin-1-yl-1H-indazol-3-yl)-4-[1-(1,4,4a,...)
Show SMILES CN1CCN(CCCn2nc(C3=C(C(=O)NC3=O)c3cn(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)CC1
Show InChI InChI=1S/C37H34N6O2/c1-40-19-21-41(22-20-40)17-8-18-43-32-14-7-5-12-29(32)35(39-43)34-33(36(44)38-37(34)45)30-24-42(31-13-6-4-11-28(30)31)27-16-15-25-9-2-3-10-26(25)23-27/h2-7,9-16,23-24H,8,17-22H2,1H3,(H,38,44,45)
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290n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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320n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50162992
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cncc4ccccc34)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H28N6O2/c1-37(2)16-9-17-39-27-15-8-6-13-24(27)31(36-39)30-29(32(40)35-33(30)41)25-20-38(26-14-7-5-12-23(25)26)28-19-34-18-21-10-3-4-11-22(21)28/h3-8,10-15,18-20H,9,16-17H2,1-2H3,(H,35,40,41)
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490n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50162993
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C29H26N6O2/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37)
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610n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50163002
PNG
(3-(1-Morpholin-2-yl-1H-indazol-3-yl)-4-[1-(1,4,4a,...)
Show SMILES O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C36H31N5O3/c42-35-32(29-23-40(30-12-5-3-10-27(29)30)26-15-14-24-8-1-2-9-25(24)22-26)33(36(43)37-35)34-28-11-4-6-13-31(28)41(38-34)17-7-16-39-18-20-44-21-19-39/h1-6,8-15,22-23H,7,16-21H2,(H,37,42,43)
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850n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104592
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-5,6,7,8-tetrahy...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H30N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,9,14-15,17-18,23H,2,4-8,10-13H2,(H,25,31)(H,29,30)/t17?,18-/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104598
PNG
(2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1
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n/an/a 0.0270n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104602
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H32N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,8-9,17,19-20,26H,4,7,10-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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n/an/a 0.0410n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104595
PNG
(2-Phenylmethanesulfonylamino-3-{[3-(2-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H32N6O5S/c31-23(26-15-20(24(32)33)29-36(34,35)16-18-5-2-1-3-6-18)19-7-4-14-30-21(27-28-22(19)30)9-8-17-10-12-25-13-11-17/h1-3,5-6,8-9,17,19-20,25,29H,4,7,10-16H2,(H,26,31)(H,32,33)/b9-8+/t19?,20-/m0/s1
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n/an/a 0.0430n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104591
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H30N6O3/c33-24(34)15-22(19-14-18-4-1-2-6-21(18)28-16-19)29-26(35)20-5-3-13-32-23(30-31-25(20)32)8-7-17-9-11-27-12-10-17/h1-2,4,6-8,14,16-17,20,22,27H,3,5,9-13,15H2,(H,29,35)(H,33,34)/b8-7+/t20?,22-/m0/s1
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n/an/a 0.0570n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104600
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 0.0600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104597
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H28N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,5-6,9,14-15,17-18,23H,2,4,7-8,10-13H2,(H,25,31)(H,29,30)/b6-5+/t17?,18-/m0/s1
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n/an/a 0.0610n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104594
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-e...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H34N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,17,19-20,26H,4,7-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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n/an/a 0.0680n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104596
PNG
(3-{[3-(2-Piperidin-4-yl-vinyl)-5,6,7,8-tetrahydro-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C24H31N7O4/c32-21(13-17-3-1-9-26-14-17)28-19(24(34)35)15-27-23(33)18-4-2-12-31-20(29-30-22(18)31)6-5-16-7-10-25-11-8-16/h1,3,5-6,9,14,16,18-19,25H,2,4,7-8,10-13,15H2,(H,27,33)(H,28,32)(H,34,35)/b6-5+/t18?,19-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104598
PNG
(2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1
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n/an/a 0.170n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104597
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H28N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,5-6,9,14-15,17-18,23H,2,4,7-8,10-13H2,(H,25,31)(H,29,30)/b6-5+/t17?,18-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104602
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H32N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,8-9,17,19-20,26H,4,7,10-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104600
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104599
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-[1,2,4]triazolo...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H26N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1-4,9,12,14-15,18,23H,5-8,10-11,13H2,(H,25,31)(H,29,30)/t18-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104591
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H30N6O3/c33-24(34)15-22(19-14-18-4-1-2-6-21(18)28-16-19)29-26(35)20-5-3-13-32-23(30-31-25(20)32)8-7-17-9-11-27-12-10-17/h1-2,4,6-8,14,16-17,20,22,27H,3,5,9-13,15H2,(H,29,35)(H,33,34)/b8-7+/t20?,22-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104594
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-e...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H34N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,17,19-20,26H,4,7-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435158
PNG
(CHEMBL2392762)
Show SMILES Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl
Show InChI InChI=1S/C15H20ClN3O2/c1-8-12(16)13(21-19-8)17-14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H2,17,18,20)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...


Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104595
PNG
(2-Phenylmethanesulfonylamino-3-{[3-(2-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H32N6O5S/c31-23(26-15-20(24(32)33)29-36(34,35)16-18-5-2-1-3-6-18)19-7-4-14-30-21(27-28-22(19)30)9-8-17-10-12-25-13-11-17/h1-3,5-6,8-9,17,19-20,25,29H,4,7,10-16H2,(H,26,31)(H,32,33)/b9-8+/t19?,20-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104592
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-5,6,7,8-tetrahy...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H30N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,9,14-15,17-18,23H,2,4-8,10-13H2,(H,25,31)(H,29,30)/t17?,18-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104590
PNG
(2-Isobutoxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)C(O)=O
Show InChI InChI=1S/C22H34N6O5/c1-14(2)13-33-22(32)25-17(21(30)31)12-24-20(29)16-4-3-11-28-18(26-27-19(16)28)6-5-15-7-9-23-10-8-15/h5-6,14-17,23H,3-4,7-13H2,1-2H3,(H,24,29)(H,25,32)(H,30,31)/t16?,17-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104590
PNG
(2-Isobutoxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)C(O)=O
Show InChI InChI=1S/C22H34N6O5/c1-14(2)13-33-22(32)25-17(21(30)31)12-24-20(29)16-4-3-11-28-18(26-27-19(16)28)6-5-15-7-9-23-10-8-15/h5-6,14-17,23H,3-4,7-13H2,1-2H3,(H,24,29)(H,25,32)(H,30,31)/t16?,17-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435174
PNG
(CHEMBL2392747)
Show SMILES Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1
Show InChI InChI=1S/C23H28N4O3S/c24-18-1-3-20(4-2-18)27-31(29,30)21-7-5-19(6-8-21)25-22(28)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,27H,9-14,24H2,(H2,25,26,28)
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n/an/a 0.700n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...


Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435162
PNG
(CHEMBL2392758)
Show SMILES Cc1onc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Br
Show InChI InChI=1S/C15H20BrN3O2/c1-8-12(16)13(19-21-8)17-14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H2,17,18,19,20)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...


Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50135425
PNG
(4-{2-(Isoquinoline-5-sulfonylamino)-3-[4-(isoquino...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C36H37N5O8S2/c1-36(2,3)48-35(43)41-20-18-40(19-21-41)34(42)31(39-50(44,45)32-8-4-6-26-23-37-16-14-29(26)32)22-25-10-12-28(13-11-25)49-51(46,47)33-9-5-7-27-24-38-17-15-30(27)33/h4-17,23-24,31,39H,18-22H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonistic activity against P2X7 receptor


Bioorg Med Chem Lett 13: 4047-50 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.034
BindingDB Entry DOI: 10.7270/Q2J966XJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104596
PNG
(3-{[3-(2-Piperidin-4-yl-vinyl)-5,6,7,8-tetrahydro-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C24H31N7O4/c32-21(13-17-3-1-9-26-14-17)28-19(24(34)35)15-27-23(33)18-4-2-12-31-20(29-30-22(18)31)6-5-16-7-10-25-11-8-16/h1,3,5-6,9,14,16,18-19,25H,2,4,7-8,10-13,15H2,(H,27,33)(H,28,32)(H,34,35)/b6-5+/t18?,19-/m0/s1
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


Article DOI: 10.1016/s0960-894x(03)00644-9
BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435159
PNG
(CHEMBL2392761)
Show SMILES FC(F)(F)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)on1
Show InChI InChI=1S/C15H18F3N3O2/c16-15(17,18)11-4-12(23-21-11)19-13(22)20-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H2,19,20,22)
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n/an/a 2n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...


Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Mus musculus (mouse))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50173167
PNG
((S)-(2-(4-fluorophenyl)-3-(2-(propylamino)pyrimidi...)
Show SMILES CCCNc1nccc(n1)-c1c(nc2CC[C@@H](CO)n12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O/c1-2-10-22-20-23-11-9-16(24-20)19-18(13-3-5-14(21)6-4-13)25-17-8-7-15(12-27)26(17)19/h3-6,9,11,15,27H,2,7-8,10,12H2,1H3,(H,22,23,24)/t15-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibitory activity against c-Jun N-terminal kinase 3 at a concentration of 1.0 uM


Bioorg Med Chem Lett 15: 4666-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.076
BindingDB Entry DOI: 10.7270/Q28G8K8K
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104593
PNG
(2-Benzyloxycarbonylamino-3-{[8-methyl-3-(2-piperid...)
Show SMILES CC1(CCCn2c(CCC3CCNCC3)nnc12)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H36N6O5/c1-26(12-5-15-32-21(30-31-23(26)32)9-8-18-10-13-27-14-11-18)24(35)28-16-20(22(33)34)29-25(36)37-17-19-6-3-2-4-7-19/h2-4,6-7,18,20,27H,5,8-17H2,1H3,(H,28,35)(H,29,36)(H,33,34)/t20-,26?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50173169
PNG
(CHEMBL383799 | [(R)-2-(4-Fluoro-phenyl)-3-(2-propy...)
Show SMILES CCCNc1nccc(n1)-c1c(nc2CC[C@H](CO)n12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O/c1-2-10-22-20-23-11-9-16(24-20)19-18(13-3-5-14(21)6-4-13)25-17-8-7-15(12-27)26(17)19/h3-6,9,11,15,27H,2,7-8,10,12H2,1H3,(H,22,23,24)/t15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibitory activity against c-Jun N-terminal kinase 3 at a concentration of 1.0 uM


Bioorg Med Chem Lett 15: 4666-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.076
BindingDB Entry DOI: 10.7270/Q28G8K8K
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435152
PNG
(CHEMBL2392723)
Show SMILES O=C(Nc1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H21N3OS/c22-16(20-17-19-14-3-1-2-4-15(14)23-17)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,20,21,22)
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n/an/a 3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...


Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50147472
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCO)c2ncccc12
Show InChI InChI=1S/C21H19N3O4/c1-28-16-8-3-2-6-14(16)17-18(21(27)23-20(17)26)15-12-24(10-5-11-25)19-13(15)7-4-9-22-19/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50132318
PNG
(3-(1-{2-[2-(2-Dimethylamino-ethoxy)-ethoxy]-ethyl}...)
Show SMILES CN1CCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCCOCC1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


Article DOI: 10.1016/s0960-894x(03)00644-9
BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50162990
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H28N6O2/c1-37(2)16-9-17-39-28-15-8-5-12-24(28)31(36-39)30-29(32(40)35-33(30)41)25-20-38(27-14-7-4-11-23(25)27)22-18-21-10-3-6-13-26(21)34-19-22/h3-8,10-15,18-20H,9,16-17H2,1-2H3,(H,35,40,41)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of IL-8 release by HEK293 cells expressing PKC-beta2


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50132309
PNG
(23-ethyl-17,20-dioxa-4,14,23,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-12-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-6-4-8-22(24)26)14-16-38-18-17-37-15-13-32/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


Article DOI: 10.1016/s0960-894x(03)00644-9
BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


Article DOI: 10.1016/s0960-894x(03)00644-9
BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104599
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-[1,2,4]triazolo...)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H26N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1-4,9,12,14-15,18,23H,5-8,10-11,13H2,(H,25,31)(H,29,30)/t18-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 2 using [gamma-33P]-ATP


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50435140
PNG
(CHEMBL2392735)
Show SMILES Cc1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1
Show InChI InChI=1S/C15H21N3O2/c1-8-2-13(18-20-8)16-15(19)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14H,3-7H2,1H3,(H2,16,17,18,19)
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n/an/a 5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...


Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50132317
PNG
(17,23-dimethyl-20-oxa-4,14,17,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C30H33N5O3/c1-32-11-13-34-19-23(21-7-3-5-9-25(21)34)27-28(30(37)31-29(27)36)24-20-35(26-10-6-4-8-22(24)26)14-12-33(2)16-18-38-17-15-32/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


Article DOI: 10.1016/s0960-894x(03)00644-9
BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
CaM kinase II


(Homo sapiens-Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Calcium/calmodulin-dependent protein kinase type II


Bioorg Med Chem Lett 13: 3049-53 (2003)


Article DOI: 10.1016/s0960-894x(03)00644-9
BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
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