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Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'terebetski' and Initial = 'jl'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021345
PNG
(CHEMBL3287928)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3
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637n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021331
PNG
(CHEMBL3287930)
Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3
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740n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350538
PNG
(CHEMBL1812717)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
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1.25E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021346
PNG
(CHEMBL3287926)
Show SMILES Clc1ccc(Sc2c[nH]nc2-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)
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1.54E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021329
PNG
(CHEMBL3287932)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021344
PNG
(CHEMBL3287929)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H
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5.21E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021334
PNG
(CHEMBL3287931)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
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2.85E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50021330
PNG
(CHEMBL3287927)
Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2
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>3.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 5: 717-21 (2014)


Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362418
PNG
(CHEMBL1938418)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2o1 |r|
Show InChI InChI=1S/C33H37FN4O3S/c1-40-26-7-3-23(4-8-26)33(12-2-13-33)36-25-6-9-27(28(20-25)22-11-18-42-21-22)31(39)37-14-16-38(17-15-37)32-35-29-10-5-24(34)19-30(29)41-32/h3-5,7-8,10-11,18-19,21,25,27-28,36H,2,6,9,12-17,20H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362419
PNG
(CHEMBL1940544)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(F)ccc2o1 |r|
Show InChI InChI=1S/C33H37FN4O3S/c1-40-26-7-3-23(4-8-26)33(12-2-13-33)36-25-6-9-27(28(20-25)22-11-18-42-21-22)31(39)37-14-16-38(17-15-37)32-35-29-19-24(34)5-10-30(29)41-32/h3-5,7-8,10-11,18-19,21,25,27-28,36H,2,6,9,12-17,20H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434318
PNG
(CHEMBL2386566)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362420
PNG
(CHEMBL1940540)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H38N4O2S2/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-40-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)41-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434329
PNG
(CHEMBL2386554)
Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O
Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26)
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362417
PNG
(CHEMBL1940545)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2[nH]1 |r|
Show InChI InChI=1S/C33H38FN5O2S/c1-41-26-7-3-23(4-8-26)33(12-2-13-33)37-25-6-9-27(28(20-25)22-11-18-42-21-22)31(40)38-14-16-39(17-15-38)32-35-29-10-5-24(34)19-30(29)36-32/h3-5,7-8,10-11,18-19,21,25,27-28,37H,2,6,9,12-17,20H2,1H3,(H,35,36)/t25-,27+,28-/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362409
PNG
(CHEMBL1940543)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(C)ccc2o1 |r|
Show InChI InChI=1S/C34H40N4O3S/c1-23-4-11-31-30(20-23)35-33(41-31)38-17-15-37(16-18-38)32(39)28-10-7-26(21-29(28)24-12-19-42-22-24)36-34(13-3-14-34)25-5-8-27(40-2)9-6-25/h4-6,8-9,11-12,19-20,22,26,28-29,36H,3,7,10,13-18,21H2,1-2H3/t26-,28+,29-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434316
PNG
(CHEMBL2386568)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434329
PNG
(CHEMBL2386554)
Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O
Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434318
PNG
(CHEMBL2386566)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362417
PNG
(CHEMBL1940545)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2[nH]1 |r|
Show InChI InChI=1S/C33H38FN5O2S/c1-41-26-7-3-23(4-8-26)33(12-2-13-33)37-25-6-9-27(28(20-25)22-11-18-42-21-22)31(40)38-14-16-39(17-15-38)32-35-29-10-5-24(34)19-30(29)36-32/h3-5,7-8,10-11,18-19,21,25,27-28,37H,2,6,9,12-17,20H2,1H3,(H,35,36)/t25-,27+,28-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362414
PNG
(CHEMBL1940537)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C33H38N4O3S/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-41-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)40-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434317
PNG
(CHEMBL2386567)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362419
PNG
(CHEMBL1940544)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(F)ccc2o1 |r|
Show InChI InChI=1S/C33H37FN4O3S/c1-40-26-7-3-23(4-8-26)33(12-2-13-33)36-25-6-9-27(28(20-25)22-11-18-42-21-22)31(39)37-14-16-38(17-15-37)32-35-29-19-24(34)5-10-30(29)41-32/h3-5,7-8,10-11,18-19,21,25,27-28,36H,2,6,9,12-17,20H2,1H3/t25-,27+,28-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434315
PNG
(CHEMBL2386569)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434322
PNG
(CHEMBL2386562)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C20H19ClN4OS/c1-22-19(26)16-9-15(16)12-3-5-13(6-4-12)18-20(25(2)11-24-18)27-17-8-7-14(21)10-23-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,26)/t15-,16+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434314
PNG
(CHEMBL2386570)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362412
PNG
(CHEMBL1940539)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362418
PNG
(CHEMBL1938418)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2o1 |r|
Show InChI InChI=1S/C33H37FN4O3S/c1-40-26-7-3-23(4-8-26)33(12-2-13-33)36-25-6-9-27(28(20-25)22-11-18-42-21-22)31(39)37-14-16-38(17-15-37)32-35-29-10-5-24(34)19-30(29)41-32/h3-5,7-8,10-11,18-19,21,25,27-28,36H,2,6,9,12-17,20H2,1H3/t25-,27+,28-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434314
PNG
(CHEMBL2386570)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434315
PNG
(CHEMBL2386569)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434316
PNG
(CHEMBL2386568)
Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434320
PNG
(CHEMBL2386564)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434317
PNG
(CHEMBL2386567)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434313
PNG
(CHEMBL2386571)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362420
PNG
(CHEMBL1940540)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H38N4O2S2/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-40-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)41-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362415
PNG
(CHEMBL1940536)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362411
PNG
(CHEMBL1940541)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(s1)C(F)(F)F |r|
Show InChI InChI=1S/C29H34F3N5O2S2/c1-39-22-6-3-20(4-7-22)28(10-2-11-28)33-21-5-8-23(24(17-21)19-9-16-40-18-19)25(38)36-12-14-37(15-13-36)27-35-34-26(41-27)29(30,31)32/h3-4,6-7,9,16,18,21,23-24,33H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362413
PNG
(CHEMBL1940538)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362410
PNG
(CHEMBL1940542)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1 |r|
Show InChI InChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362437
PNG
(CHEMBL1940367)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C31H36N4O2S2/c1-21(22-7-10-25(37-2)11-8-22)32-24-9-12-26(27(19-24)23-13-18-38-20-23)30(36)34-14-16-35(17-15-34)31-33-28-5-3-4-6-29(28)39-31/h3-8,10-11,13,18,20-21,24,26-27,32H,9,12,14-17,19H2,1-2H3/t21-,24-,26+,27-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434319
PNG
(CHEMBL2386565)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362412
PNG
(CHEMBL1940539)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1
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Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434319
PNG
(CHEMBL2386565)
Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362430
PNG
(CHEMBL1940526)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C31H37ClN4O2S/c1-38-26-7-3-23(4-8-26)31(12-2-13-31)34-25-6-9-27(28(19-25)22-11-18-39-21-22)30(37)36-16-14-35(15-17-36)29-10-5-24(32)20-33-29/h3-5,7-8,10-11,18,20-21,25,27-28,34H,2,6,9,12-17,19H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434321
PNG
(CHEMBL2386563)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(CCF)c1Sc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C22H22ClFN4OS/c1-27(2)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(10-9-24)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50434323
PNG
(CHEMBL2386561)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C19H17ClN4OS/c1-24-10-23-17(19(24)26-16-7-6-13(20)9-22-16)12-4-2-11(3-5-12)14-8-15(14)18(21)25/h2-7,9-10,14-15H,8H2,1H3,(H2,21,25)/t14-,15+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362409
PNG
(CHEMBL1940543)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(C)ccc2o1 |r|
Show InChI InChI=1S/C34H40N4O3S/c1-23-4-11-31-30(20-23)35-33(41-31)38-17-15-37(16-18-38)32(39)28-10-7-26(21-29(28)24-12-19-42-22-24)36-34(13-3-14-34)25-5-8-27(40-2)9-6-25/h4-6,8-9,11-12,19-20,22,26,28-29,36H,3,7,10,13-18,21H2,1-2H3/t26-,28+,29-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434328
PNG
(CHEMBL2386555)
Show SMILES NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)C1CC1 |r|
Show InChI InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM50362414
PNG
(CHEMBL1940537)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C33H38N4O3S/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-41-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)40-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50434320
PNG
(CHEMBL2386564)
Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r|
Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p...


ACS Med Chem Lett 4: 509-13 (2013)


Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ
More data for this
Ligand-Target Pair
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