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Compile Data Set for Download or QSAR

Found 21 hits of ec50 data for polymerid = 50006998   
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
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132143
PNG
(CHEMBL3633720)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 16n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132137
PNG
(CHEMBL3633878)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(C)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 24n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131904
PNG
(CHEMBL3633888)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(F)cc(Cl)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 24n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131902
PNG
(CHEMBL3633890)
Show SMILES COc1cc(OC)cc(c1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 32n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131999
PNG
(CHEMBL3633881)
Show SMILES COc1cccc(c1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 33n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131906
PNG
(CHEMBL3633886)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 40n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131899
PNG
(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)
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n/an/an/an/a 43n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131993
PNG
(CHEMBL3633883)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 46n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131905
PNG
(CHEMBL3633887)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 46n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131946
PNG
(CHEMBL3633884)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 52n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131994
PNG
(CHEMBL3633882)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 52n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132000
PNG
(CHEMBL3633880)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 54n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132131
PNG
(CHEMBL3633879)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 59n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131903
PNG
(CHEMBL3633889)
Show SMILES C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 78n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50132141
PNG
(CHEMBL3633721)
Show SMILES C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 118n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131931
PNG
(CHEMBL3633885)
Show SMILES C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 193n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into H-ras CVLS by farnesyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131897
PNG
(CHEMBL3633894)
Show SMILES CC(NC(=O)CSC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1/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)
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n/an/an/an/a 670n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131896
PNG
(CHEMBL3633895)
Show SMILES COc1cccc(c1)C(=O)NCC(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 1.70E+3n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131895
PNG
(CHEMBL3633896)
Show SMILES C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2.10E+3n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131901
PNG
(CHEMBL3633891)
Show SMILES C[C@H](NCCNC(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens)
BDBM50131900
PNG
(CHEMBL3633892)
Show SMILES C[C@H](NC(=O)CNCc1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


Citation and Details
More data for this
Ligand-Target Pair