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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50030371   
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
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295231
PNG
((+)-8'-methyl-11'-(2-(trifluoromethyl)phenyl)-4',5...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1ccccc1C(F)(F)F |t:5|
Show InChI InChI=1S/C25H25F3N2O/c1-15-8-9-18-19(12-15)30-23(16-6-2-3-7-17(16)25(26,27)28)22-20(29-18)13-24(14-21(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
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n/an/a 96n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295231
PNG
((+)-8'-methyl-11'-(2-(trifluoromethyl)phenyl)-4',5...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1ccccc1C(F)(F)F |t:5|
Show InChI InChI=1S/C25H25F3N2O/c1-15-8-9-18-19(12-15)30-23(16-6-2-3-7-17(16)25(26,27)28)22-20(29-18)13-24(14-21(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
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n/an/a 96n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295222
PNG
(10-butyl-11-(2-chloro-6-fluorophenyl)-3,3,8-trimet...)
Show SMILES CCCCN1C(C2C(=O)CC(C)(C)CC2=Nc2ccc(C)cc12)c1c(F)cccc1Cl |c:15|
Show InChI InChI=1S/C26H30ClFN2O/c1-5-6-12-30-21-13-16(2)10-11-19(21)29-20-14-26(3,4)15-22(31)24(20)25(30)23-17(27)8-7-9-18(23)28/h7-11,13,24-25H,5-6,12,14-15H2,1-4H3
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n/an/a 150n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295254
PNG
(11-(2-chloro-6-fluorophenyl)-3,3,8,10-tetramethyl-...)
Show SMILES CN1C(C2C(=O)CC(C)(C)CC2=Nc2ccc(C)cc12)c1c(F)cccc1Cl |c:12|
Show InChI InChI=1S/C23H24ClFN2O/c1-13-8-9-16-18(10-13)27(4)22(20-14(24)6-5-7-15(20)25)21-17(26-16)11-23(2,3)12-19(21)28/h5-10,21-22H,11-12H2,1-4H3
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295221
PNG
(11-(2-chloro-6-fluorophenyl)-10-ethyl-3,3,8-trimet...)
Show SMILES CCN1C(C2C(=O)CC(C)(C)CC2=Nc2ccc(C)cc12)c1c(F)cccc1Cl |c:13|
Show InChI InChI=1S/C24H26ClFN2O/c1-5-28-19-11-14(2)9-10-17(19)27-18-12-24(3,4)13-20(29)22(18)23(28)21-15(25)7-6-8-16(21)26/h6-11,22-23H,5,12-13H2,1-4H3
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n/an/a 180n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295245
PNG
(3,3,8-trimethyl-11-(2-(methylthio)phenyl)-2,3,4,5,...)
Show SMILES CSc1ccccc1C1Nc2cc(C)ccc2N=C2CC(C)(C)CC(=O)C12 |t:19|
Show InChI InChI=1S/C23H26N2OS/c1-14-9-10-16-17(11-14)25-22(15-7-5-6-8-20(15)27-4)21-18(24-16)12-23(2,3)13-19(21)26/h5-11,21-22,25H,12-13H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295232
PNG
(11'-(2-chlorophenyl)-8'-methyl-4',5',10',11'-tetra...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1ccccc1Cl |t:5|
Show InChI InChI=1S/C24H25ClN2O/c1-15-8-9-18-19(12-15)27-23(16-6-2-3-7-17(16)25)22-20(26-18)13-24(14-21(22)28)10-4-5-11-24/h2-3,6-9,12,22-23,27H,4-5,10-11,13-14H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295246
PNG
(3,3,8-trimethyl-11-(2-(trifluoromethyl)phenyl)-2,3...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1ccccc1C(F)(F)F |t:5|
Show InChI InChI=1S/C23H23F3N2O/c1-13-8-9-16-17(10-13)28-21(14-6-4-5-7-15(14)23(24,25)26)20-18(27-16)11-22(2,3)12-19(20)29/h4-10,20-21,28H,11-12H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295233
PNG
(8'-methyl-11'-(2-(methylthio)phenyl)-4',5',10',11'...)
Show SMILES CSc1ccccc1C1Nc2cc(C)ccc2N=C2CC3(CCCC3)CC(=O)C12 |t:19|
Show InChI InChI=1S/C25H28N2OS/c1-16-9-10-18-19(13-16)27-24(17-7-3-4-8-22(17)29-2)23-20(26-18)14-25(15-21(23)28)11-5-6-12-25/h3-4,7-10,13,23-24,27H,5-6,11-12,14-15H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295223
PNG
(11'-(2-chloro-6-fluorophenyl)-8'-methyl-4',5',10',...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:5|
Show InChI InChI=1S/C24H24ClFN2O/c1-14-7-8-17-18(11-14)28-23(21-15(25)5-4-6-16(21)26)22-19(27-17)12-24(13-20(22)29)9-2-3-10-24/h4-8,11,22-23,28H,2-3,9-10,12-13H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295247
PNG
(11-(2-chlorophenyl)-3,3,8-trimethyl-2,3,4,5,10,11-...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1ccccc1Cl |t:5|
Show InChI InChI=1S/C22H23ClN2O/c1-13-8-9-16-17(10-13)25-21(14-6-4-5-7-15(14)23)20-18(24-16)11-22(2,3)12-19(20)26/h4-10,20-21,25H,11-12H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295236
PNG
(11-(2-chloro-6-fluorophenyl)-3,3,8-trimethyl-2,3,4...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:5|
Show InChI InChI=1S/C22H22ClFN2O/c1-12-7-8-15-16(9-12)26-21(19-13(23)5-4-6-14(19)24)20-17(25-15)10-22(2,3)11-18(20)27/h4-9,20-21,26H,10-11H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295237
PNG
(11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-8-(trifl...)
Show SMILES CC1(C)CC(=O)C2C(Nc3cc(ccc3N=C2C1)C(F)(F)F)c1c(F)cccc1Cl |c:16|
Show InChI InChI=1S/C22H19ClF4N2O/c1-21(2)9-16-19(17(30)10-21)20(18-12(23)4-3-5-13(18)24)29-15-8-11(22(25,26)27)6-7-14(15)28-16/h3-8,19-20,29H,9-10H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295224
PNG
(11-(2-chloro-6-fluorophenyl)-3,8-dimethyl-2,3,4,5,...)
Show SMILES CC1CC(=O)C2C(Nc3cc(C)ccc3N=C2C1)c1c(F)cccc1Cl |c:16|
Show InChI InChI=1S/C21H20ClFN2O/c1-11-6-7-15-16(8-11)25-21(19-13(22)4-3-5-14(19)23)20-17(24-15)9-12(2)10-18(20)26/h3-8,12,20-21,25H,9-10H2,1-2H3
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n/an/a 450n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295234
PNG
(11'-(2-fluoro-6-(trifluoromethyl)phenyl)-8'-methyl...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1c(F)cccc1C(F)(F)F |t:5|
Show InChI InChI=1S/C25H24F4N2O/c1-14-7-8-17-18(11-14)31-23(21-15(25(27,28)29)5-4-6-16(21)26)22-19(30-17)12-24(13-20(22)32)9-2-3-10-24/h4-8,11,22-23,31H,2-3,9-10,12-13H2,1H3
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n/an/a 540n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295248
PNG
(3,3,8-trimethyl-11-(2-nitrophenyl)-2,3,4,5,10,11-h...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1ccccc1[N+]([O-])=O |t:5|
Show InChI InChI=1S/C22H23N3O3/c1-13-8-9-15-16(10-13)24-21(14-6-4-5-7-18(14)25(27)28)20-17(23-15)11-22(2,3)12-19(20)26/h4-10,20-21,24H,11-12H2,1-3H3
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n/an/a 550n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295231
PNG
((+)-8'-methyl-11'-(2-(trifluoromethyl)phenyl)-4',5...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1ccccc1C(F)(F)F |t:5|
Show InChI InChI=1S/C25H25F3N2O/c1-15-8-9-18-19(12-15)30-23(16-6-2-3-7-17(16)25(26,27)28)22-20(29-18)13-24(14-21(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
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n/an/a 580n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human neuromedin B receptor transfected in HEK293 cells assessed as inhibition of 1 nM neuromedin B-induced myo-[3H]inositol p...


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295235
PNG
(8'-methyl-11'-(2-(trifluoromethylthio)phenyl)-4',5...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1ccccc1SC(F)(F)F |t:5|
Show InChI InChI=1S/C25H25F3N2OS/c1-15-8-9-17-18(12-15)30-23(16-6-2-3-7-21(16)32-25(26,27)28)22-19(29-17)13-24(14-20(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
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n/an/a 640n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295225
PNG
(11-(2-chloro-6-fluorophenyl)-3-isopropyl-8-methyl-...)
Show SMILES CC(C)C1CC(=O)C2C(Nc3cc(C)ccc3N=C2C1)c1c(F)cccc1Cl |c:18|
Show InChI InChI=1S/C23H24ClFN2O/c1-12(2)14-10-19-22(20(28)11-14)23(21-15(24)5-4-6-16(21)25)27-18-9-13(3)7-8-17(18)26-19/h4-9,12,14,22-23,27H,10-11H2,1-3H3
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n/an/a 810n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295238
PNG
(8-chloro-11-(2-chloro-6-fluorophenyl)-3,3-dimethyl...)
Show SMILES CC1(C)CC(=O)C2C(Nc3cc(Cl)ccc3N=C2C1)c1c(F)cccc1Cl |c:17|
Show InChI InChI=1S/C21H19Cl2FN2O/c1-21(2)9-16-19(17(27)10-21)20(18-12(23)4-3-5-13(18)24)26-15-8-11(22)6-7-14(15)25-16/h3-8,19-20,26H,9-10H2,1-2H3
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n/an/a 860n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295249
PNG
(11-(2-methoxyphenyl)-3,3,8-trimethyl-2,3,4,5,10,11...)
Show SMILES COc1ccccc1C1Nc2cc(C)ccc2N=C2CC(C)(C)CC(=O)C12 |t:19|
Show InChI InChI=1S/C23H26N2O2/c1-14-9-10-16-17(11-14)25-22(15-7-5-6-8-20(15)27-4)21-18(24-16)12-23(2,3)13-19(21)26/h5-11,21-22,25H,12-13H2,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295240
PNG
(11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-1-oxo-2,...)
Show SMILES CC1(C)CC(=O)C2C(Nc3cc(ccc3N=C2C1)C#N)c1c(F)cccc1Cl |c:16|
Show InChI InChI=1S/C22H19ClFN3O/c1-22(2)9-17-20(18(28)10-22)21(19-13(23)4-3-5-14(19)24)27-16-8-12(11-25)6-7-15(16)26-17/h3-8,20-21,27H,9-10H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295250
PNG
(11-(2-fluorophenyl)-3,3,8-trimethyl-2,3,4,5,10,11-...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1ccccc1F |t:5|
Show InChI InChI=1S/C22H23FN2O/c1-13-8-9-16-17(10-13)25-21(14-6-4-5-7-15(14)23)20-18(24-16)11-22(2,3)12-19(20)26/h4-10,20-21,25H,11-12H2,1-3H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295239
PNG
(11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-8-(trifl...)
Show SMILES CC1(C)CC(=O)C2C(Nc3cc(OC(F)(F)F)ccc3N=C2C1)c1c(F)cccc1Cl |c:21|
Show InChI InChI=1S/C22H19ClF4N2O2/c1-21(2)9-16-19(17(30)10-21)20(18-12(23)4-3-5-13(18)24)29-15-8-11(31-22(25,26)27)6-7-14(15)28-16/h3-8,19-20,29H,9-10H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295226
PNG
(11-(2-chloro-6-fluorophenyl)-8-methyl-2,3,4,5,10,1...)
Show SMILES Cc1ccc2N=C3CCCC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:5|
Show InChI InChI=1S/C20H18ClFN2O/c1-11-8-9-14-16(10-11)24-20(18-12(21)4-2-5-13(18)22)19-15(23-14)6-3-7-17(19)25/h2,4-5,8-10,19-20,24H,3,6-7H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295227
PNG
(11-(2-chloro-6-fluorophenyl)-3-(4-methoxyphenyl)-8...)
Show SMILES COc1ccc(cc1)C1CC(=O)C2C(Nc3cc(C)ccc3N=C2C1)c1c(F)cccc1Cl |c:24|
Show InChI InChI=1S/C27H24ClFN2O2/c1-15-6-11-21-22(12-15)31-27(25-19(28)4-3-5-20(25)29)26-23(30-21)13-17(14-24(26)32)16-7-9-18(33-2)10-8-16/h3-12,17,26-27,31H,13-14H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295241
PNG
(11-(2-chloro-6-fluorophenyl)-8-methoxy-3,3-dimethy...)
Show SMILES COc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:6|
Show InChI InChI=1S/C22H22ClFN2O2/c1-22(2)10-17-20(18(27)11-22)21(19-13(23)5-4-6-14(19)24)26-16-9-12(28-3)7-8-15(16)25-17/h4-9,20-21,26H,10-11H2,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295251
PNG
(11-(2,6-difluorophenyl)-3,3,8-trimethyl-2,3,4,5,10...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1c(F)cccc1F |t:5|
Show InChI InChI=1S/C22H22F2N2O/c1-12-7-8-15-16(9-12)26-21(19-13(23)5-4-6-14(19)24)20-17(25-15)10-22(2,3)11-18(20)27/h4-9,20-21,26H,10-11H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295228
PNG
(11-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-8-meth...)
Show SMILES Cc1ccc2N=C3CC(CC(=O)C3C(Nc2c1)c1c(F)cccc1Cl)c1ccco1 |t:5|
Show InChI InChI=1S/C24H20ClFN2O2/c1-13-7-8-17-18(10-13)28-24(22-15(25)4-2-5-16(22)26)23-19(27-17)11-14(12-20(23)29)21-6-3-9-30-21/h2-10,14,23-24,28H,11-12H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295229
PNG
(11-(2-chloro-6-fluorophenyl)-3-(4-(dimethylamino)p...)
Show SMILES CN(C)c1ccc(cc1)C1CC(=O)C2C(Nc3cc(C)ccc3N=C2C1)c1c(F)cccc1Cl |c:25|
Show InChI InChI=1S/C28H27ClFN3O/c1-16-7-12-22-23(13-16)32-28(26-20(29)5-4-6-21(26)30)27-24(31-22)14-18(15-25(27)34)17-8-10-19(11-9-17)33(2)3/h4-13,18,27-28,32H,14-15H2,1-3H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295236
PNG
(11-(2-chloro-6-fluorophenyl)-3,3,8-trimethyl-2,3,4...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:5|
Show InChI InChI=1S/C22H22ClFN2O/c1-12-7-8-15-16(9-12)26-21(19-13(23)5-4-6-14(19)24)20-17(25-15)10-22(2,3)11-18(20)27/h4-9,20-21,26H,10-11H2,1-3H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human neuromedin B receptor transfected in HEK293 cells assessed as inhibition of 1 nM neuromedin B-induced myo-[3H]inositol p...


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295252
PNG
(3,3,8-trimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C22H24N2O/c1-14-9-10-16-17(11-14)24-21(15-7-5-4-6-8-15)20-18(23-16)12-22(2,3)13-19(20)25/h4-11,20-21,24H,12-13H2,1-3H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295243
PNG
(11-(2-chloro-6-fluorophenyl)-8-hydroxy-3,3-dimethy...)
Show SMILES CC1(C)CC(=O)C2C(Nc3cc(O)ccc3N=C2C1)c1c(F)cccc1Cl |c:17|
Show InChI InChI=1S/C21H20ClFN2O2/c1-21(2)9-16-19(17(27)10-21)20(18-12(22)4-3-5-13(18)23)25-15-8-11(26)6-7-14(15)24-16/h3-8,19-20,25-26H,9-10H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295242
PNG
(11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-1-oxo-2,...)
Show SMILES CC1(C)CC(=O)C2C(Nc3cc(ccc3N=C2C1)C(O)=O)c1c(F)cccc1Cl |c:16|
Show InChI InChI=1S/C22H20ClFN2O3/c1-22(2)9-16-19(17(27)10-22)20(18-12(23)4-3-5-13(18)24)26-15-8-11(21(28)29)6-7-14(15)25-16/h3-8,19-20,26H,9-10H2,1-2H3,(H,28,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))
BDBM50295236
PNG
(11-(2-chloro-6-fluorophenyl)-3,3,8-trimethyl-2,3,4...)
Show SMILES Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:5|
Show InChI InChI=1S/C22H22ClFN2O/c1-12-7-8-15-16(9-12)26-21(19-13(23)5-4-6-14(19)24)20-17(25-15)10-22(2,3)11-18(20)27/h4-9,20-21,26H,10-11H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition gastrin-releasing peptide receptor


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295231
PNG
((+)-8'-methyl-11'-(2-(trifluoromethyl)phenyl)-4',5...)
Show SMILES Cc1ccc2N=C3CC4(CCCC4)CC(=O)C3C(Nc2c1)c1ccccc1C(F)(F)F |t:5|
Show InChI InChI=1S/C25H25F3N2O/c1-15-8-9-18-19(12-15)30-23(16-6-2-3-7-17(16)25(26,27)28)22-20(29-18)13-24(14-21(22)31)10-4-5-11-24/h2-3,6-9,12,22-23,30H,4-5,10-11,13-14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295230
PNG
(10-(2-chloro-6-fluorophenyl)-7-methyl-2,3,9,10-tet...)
Show SMILES Cc1ccc2N=C3CCC(=O)C3C(Nc2c1)c1c(F)cccc1Cl |t:5|
Show InChI InChI=1S/C19H16ClFN2O/c1-10-5-6-13-15(9-10)23-19(17-11(20)3-2-4-12(17)21)18-14(22-13)7-8-16(18)24/h2-6,9,18-19,23H,7-8H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295253
PNG
(11-(2-chloro-6-fluorophenyl)-3,3,5,8-tetramethyl-2...)
Show SMILES CN1C2=C(C(Nc3cc(C)ccc13)c1c(F)cccc1Cl)C(=O)CC(C)(C)C2 |c:2|
Show InChI InChI=1S/C23H24ClFN2O/c1-13-8-9-17-16(10-13)26-22(20-14(24)6-5-7-15(20)25)21-18(27(17)4)11-23(2,3)12-19(21)28/h5-10,22,26H,11-12H2,1-4H3
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UniChem

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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))
BDBM50295244
PNG
(11-(2-chloro-6-fluorophenyl)-3,3-dimethyl-1-oxo-2,...)
Show SMILES CC1(C)CC(=O)C2C(Nc3cc(ccc3N=C2C1)C(N)=O)c1c(F)cccc1Cl |c:16|
Show InChI InChI=1S/C22H21ClFN3O2/c1-22(2)9-16-19(17(28)10-22)20(18-12(23)4-3-5-13(18)24)27-15-8-11(21(25)29)6-7-14(15)26-16/h3-8,19-20,27H,9-10H2,1-2H3,(H2,25,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 4264-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.124
BindingDB Entry DOI: 10.7270/Q2C24WG8
More data for this
Ligand-Target Pair