Found 21 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131899
(CHEMBL3633893)Show SMILES COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C20H19N3O4/c1-26-15-10-14(11-16(12-15)27-2)19(24)22-23-20(25)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H,22,24)(H2,21,23,25) | PDB
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Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50132137
(CHEMBL3633878)Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O2/c1-13-7-6-10-16(11-13)18(22)19-12-17(21)20-14(2)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131904
(CHEMBL3633888)Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClFN2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131993
(CHEMBL3633883)Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1 |r| Show InChI InChI=1S/C18H17F3N2O3/c1-12(13-6-3-2-4-7-13)23-16(24)11-22-17(25)14-8-5-9-15(10-14)26-18(19,20)21/h2-10,12H,11H2,1H3,(H,22,25)(H,23,24)/t12-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50132131
(CHEMBL3633879)Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(c1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H17N3O2/c1-13(15-7-3-2-4-8-15)21-17(22)12-20-18(23)16-9-5-6-14(10-16)11-19/h2-10,13H,12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1 | PDB
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| Article
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| n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50132141
(CHEMBL3633721)Show SMILES C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClN2O2/c1-12(13-5-3-2-4-6-13)20-16(21)11-19-17(22)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 118 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50132143
(CHEMBL3633720)Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1 | PDB
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Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131897
(CHEMBL3633894)Show InChI InChI=1S/C17H17NO2S/c1-13(14-8-4-2-5-9-14)18-16(19)12-21-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,19) | PDB
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Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131994
(CHEMBL3633882)Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C18H17F3N2O2/c1-12(13-6-3-2-4-7-13)23-16(24)11-22-17(25)14-8-5-9-15(10-14)18(19,20)21/h2-10,12H,11H2,1H3,(H,22,25)(H,23,24)/t12-/m0/s1 | PDB
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Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131900
(CHEMBL3633892)Show InChI InChI=1S/C17H19ClN2O/c1-13(15-7-3-2-4-8-15)20-17(21)12-19-11-14-6-5-9-16(18)10-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131946
(CHEMBL3633884)Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-6-3-2-4-7-12)21-15(22)10-20-17(23)13-8-5-9-14(18)16(13)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50132000
(CHEMBL3633880)Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17FN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1 | PDB
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Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131896
(CHEMBL3633895)Show SMILES COc1cccc(c1)C(=O)NCC(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131902
(CHEMBL3633890)Show SMILES COc1cc(OC)cc(c1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C19H22N2O4/c1-13(14-7-5-4-6-8-14)21-18(22)12-20-19(23)15-9-16(24-2)11-17(10-15)25-3/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131999
(CHEMBL3633881)Show SMILES COc1cccc(c1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1 | PDB
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Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131895
(CHEMBL3633896)Show SMILES C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131903
(CHEMBL3633889)Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H16BrClN2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 78 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131905
(CHEMBL3633887)Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131906
(CHEMBL3633886)Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)14-9-13(18)7-8-15(14)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131931
(CHEMBL3633885)Show SMILES C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 193 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
More data for this
Ligand-Target Pair | |
Probable G-protein coupled receptor 139
(Homo sapiens (Human)) | BDBM50131901
(CHEMBL3633891)Show InChI InChI=1S/C17H19ClN2O/c1-13(14-6-3-2-4-7-14)19-10-11-20-17(21)15-8-5-9-16(18)12-15/h2-9,12-13,19H,10-11H2,1H3,(H,20,21)/t13-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Janssen Research& Development, LLC
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1015-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00247
BindingDB Entry DOI: 10.7270/Q2RX9DWS |
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Ligand-Target Pair | |
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