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Compile Data Set for Download or QSAR

Found 926 hits with Last Name = 'khan' and Initial = 'n'   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304157
PNG
(3-(2-Thienyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydr...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1cccs1 |t:4|
Show InChI InChI=1S/C12H15N3S2/c13-12(16)15-11(10-6-3-7-17-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,16)
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0.900n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50304152
PNG
(3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...)
Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4|
Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)
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0.960n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337403
PNG
(CHEMBL1682668 | methyl 1-(((1R,2S)-2-(benzyl(methy...)
Show SMILES COC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C32H35Cl2N3O3/c1-36(21-23-9-5-3-6-10-23)29(38)32(25-13-14-27(33)28(34)19-25)20-26(32)22-37-17-15-31(16-18-37,35-30(39)40-2)24-11-7-4-8-12-24/h3-14,19,26H,15-18,20-22H2,1-2H3,(H,35,39)/t26-,32+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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1.80n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337411
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C29H35Cl2FN4O2/c1-33(18-21-4-7-24(32)8-5-21)28(38)29(22-6-9-25(30)26(31)16-22)17-23(29)19-34-12-14-35(15-13-34)20-27(37)36-10-2-3-11-36/h4-9,16,23H,2-3,10-15,17-20H2,1H3/t23-,29+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337418
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-2-((3-(4-(N,N-dimet...)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C1CN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)C1 |r|
Show InChI InChI=1S/C28H36Cl2FN5O3S/c1-32(2)40(38,39)36-12-10-35(11-13-36)24-18-34(19-24)17-22-15-28(22,21-6-9-25(29)26(30)14-21)27(37)33(3)16-20-4-7-23(31)8-5-20/h4-9,14,22,24H,10-13,15-19H2,1-3H3/t22-,28+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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2.60n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337404
PNG
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-2-((4-(3,3...)
Show SMILES CN(C)C(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C33H38Cl2N4O2/c1-37(2)31(41)36-32(25-12-8-5-9-13-25)16-18-39(19-17-32)23-27-21-33(27,26-14-15-28(34)29(35)20-26)30(40)38(3)22-24-10-6-4-7-11-24/h4-15,20,27H,16-19,21-23H2,1-3H3,(H,36,41)/t27-,33+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337409
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C29H35Cl2FN4O3/c1-33(18-21-2-5-24(32)6-3-21)28(38)29(22-4-7-25(30)26(31)16-22)17-23(29)19-34-8-10-36(11-9-34)27(37)20-35-12-14-39-15-13-35/h2-7,16,23H,8-15,17-20H2,1H3/t23-,29+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337407
PNG
(CHEMBL1682672 | N1-(1-(((1R,2S)-2-(benzyl(methyl)c...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(=O)C(N)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C33H36Cl2N4O3/c1-37(21-23-9-5-3-6-10-23)31(42)33(25-13-14-27(34)28(35)19-25)20-26(33)22-39-17-15-32(16-18-39,24-11-7-4-8-12-24)38(2)30(41)29(36)40/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,36,40)/t26-,33+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337410
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CCN2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C29H37Cl2FN4O2/c1-33(20-22-2-5-25(32)6-3-22)28(37)29(23-4-7-26(30)27(31)18-23)19-24(29)21-36-12-10-34(11-13-36)8-9-35-14-16-38-17-15-35/h2-7,18,24H,8-17,19-21H2,1H3/t24-,29+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337401
PNG
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C33H37Cl2N3O2/c1-24(39)37(3)32(26-12-8-5-9-13-26)16-18-38(19-17-32)23-28-21-33(28,27-14-15-29(34)30(35)20-27)31(40)36(2)22-25-10-6-4-7-11-25/h4-15,20,28H,16-19,21-23H2,1-3H3/t28-,33+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50304156
PNG
(3-(2-Furyl)-2-(N-phenyllthiocarbamoyl)-3,3a,4,5,6,...)
Show SMILES S=C(Nc1ccccc1)N1N=C2CCCCC2C1c1ccco1 |t:11|
Show InChI InChI=1S/C18H19N3OS/c23-18(19-13-7-2-1-3-8-13)21-17(16-11-6-12-22-16)14-9-4-5-10-15(14)20-21/h1-3,6-8,11-12,14,17H,4-5,9-10H2,(H,19,23)
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4.22n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337435
PNG
(CHEMBL1682637 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccc(cc1)C(F)(F)F)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H34Cl2F3N3O2/c1-22(42)39-31(24-6-4-3-5-7-24)14-16-41(17-15-31)21-27-19-32(27,26-12-13-28(34)29(35)18-26)30(43)40(2)20-23-8-10-25(11-9-23)33(36,37)38/h3-13,18,27H,14-17,19-21H2,1-2H3,(H,39,42)
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4.60n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337425
PNG
(CHEMBL1682628 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccccc1C)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H37Cl2N3O2/c1-23-9-7-8-10-25(23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-11-5-4-6-12-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39)
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5.30n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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5.53n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically


Bioorg Med Chem 17: 6761-72 (2009)


Article DOI: 10.1016/j.bmc.2009.07.033
BindingDB Entry DOI: 10.7270/Q2TQ61M2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337405
PNG
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)
Show SMILES CNC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C32H36Cl2N4O2/c1-35-30(40)36-31(24-11-7-4-8-12-24)15-17-38(18-16-31)22-26-20-32(26,25-13-14-27(33)28(34)19-25)29(39)37(2)21-23-9-5-3-6-10-23/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,35,36,40)/t26-,32+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337416
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)S(=O)(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H33Cl2FN4O3S/c1-31(18-20-4-7-23(30)8-5-20)26(35)27(21-6-9-24(28)25(29)16-21)17-22(27)19-32-12-14-34(15-13-32)38(36,37)33-10-2-3-11-33/h4-9,16,22H,2-3,10-15,17-19H2,1H3/t22-,27+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337431
PNG
((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C32H34Cl2FN3O2/c1-22(39)36-31(24-6-4-3-5-7-24)14-16-38(17-15-31)21-26-19-32(26,25-10-13-28(33)29(34)18-25)30(40)37(2)20-23-8-11-27(35)12-9-23/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39)/t26-,32+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337441
PNG
(CHEMBL1682643 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES COc1ccc(CN(C)C(=O)C2(CC2CN2CCC(CC2)(NC(C)=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)c(OC)c1
Show InChI InChI=1S/C34H39Cl2N3O4/c1-23(40)37-33(25-8-6-5-7-9-25)14-16-39(17-15-33)22-27-20-34(27,26-11-13-29(35)30(36)18-26)32(41)38(2)21-24-10-12-28(42-3)19-31(24)43-4/h5-13,18-19,27H,14-17,20-22H2,1-4H3,(H,37,40)
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5.90n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337421
PNG
((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C32H35Cl2N3O2/c1-23(38)35-31(25-11-7-4-8-12-25)15-17-37(18-16-31)22-27-20-32(27,26-13-14-28(33)29(34)19-26)30(39)36(2)21-24-9-5-3-6-10-24/h3-14,19,27H,15-18,20-22H2,1-2H3,(H,35,38)/t27-,32+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337402
PNG
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(C(=O)N1CCCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C36H41Cl2N3O2/c1-39(25-27-11-5-2-6-12-27)34(43)36(29-15-16-31(37)32(38)23-29)24-30(36)26-40-21-17-35(18-22-40,28-13-7-3-8-14-28)33(42)41-19-9-4-10-20-41/h2-3,5-8,11-16,23,30H,4,9-10,17-22,24-26H2,1H3/t30-,36+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337397
PNG
((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(C)c(C)c1 |r|
Show InChI InChI=1S/C34H40FN3O2/c1-24-10-13-29(20-25(24)2)34(32(40)37(4)22-27-11-14-31(35)15-12-27)21-30(34)23-38-18-16-33(17-19-38,36-26(3)39)28-8-6-5-7-9-28/h5-15,20,30H,16-19,21-23H2,1-4H3,(H,36,39)/t30-,34+/m0/s1
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7.30n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337413
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H37Cl2FN4O2/c1-34(19-22-5-8-25(33)9-6-22)29(39)30(23-7-10-26(31)27(32)17-23)18-24(30)20-36-13-15-37(16-14-36)28(38)21-35-11-3-2-4-12-35/h5-10,17,24H,2-4,11-16,18-21H2,1H3/t24-,30+/m0/s1
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7.30n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337433
PNG
(CHEMBL1681797 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccc(C)cc1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H37Cl2N3O2/c1-23-9-11-25(12-10-23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-7-5-4-6-8-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39)
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7.5n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337415
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-2-((4-(N,N-dimethyl...)
Show SMILES CN(C)S(=O)(=O)N1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 |r|
Show InChI InChI=1S/C25H31Cl2FN4O3S/c1-29(2)36(34,35)32-12-10-31(11-13-32)17-20-15-25(20,19-6-9-22(26)23(27)14-19)24(33)30(3)16-18-4-7-21(28)8-5-18/h4-9,14,20H,10-13,15-17H2,1-3H3/t20-,25+/m0/s1
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7.60n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337408
PNG
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C31H35Cl2N3O3S/c1-35(21-23-9-5-3-6-10-23)29(37)31(25-13-14-27(32)28(33)19-25)20-26(31)22-36-17-15-30(16-18-36,34-40(2,38)39)24-11-7-4-8-12-24/h3-14,19,26,34H,15-18,20-22H2,1-2H3/t26-,31+/m0/s1
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7.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337417
PNG
((1S,2R)-2-((4-(2-(azepan-1-yl)acetyl)piperazin-1-y...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCCC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C31H39Cl2FN4O2/c1-35(20-23-6-9-26(34)10-7-23)30(40)31(24-8-11-27(32)28(33)18-24)19-25(31)21-37-14-16-38(17-15-37)29(39)22-36-12-4-2-3-5-13-36/h6-11,18,25H,2-5,12-17,19-22H2,1H3/t25-,31+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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9.5n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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10n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM84945
PNG
(CAS_122265 | ICI 169,369 | NSC_122265)
Show SMILES CN(C)CCSc1nc2ccccc2cc1-c1ccccc1
Show InChI InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3
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11n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337432
PNG
(CHEMBL1682635 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H34Cl3N3O2/c1-22(39)36-31(24-6-4-3-5-7-24)14-16-38(17-15-31)21-26-19-32(26,25-10-13-28(34)29(35)18-25)30(40)37(2)20-23-8-11-27(33)12-9-23/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39)
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11n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337427
PNG
(CHEMBL1682630 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1cccc(F)c1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H34Cl2FN3O2/c1-22(39)36-31(24-8-4-3-5-9-24)13-15-38(16-14-31)21-26-19-32(26,25-11-12-28(33)29(34)18-25)30(40)37(2)20-23-7-6-10-27(35)17-23/h3-12,17-18,26H,13-16,19-21H2,1-2H3,(H,36,39)
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12n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337414
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C29H35Cl2FN4O2/c1-33(18-21-4-7-24(32)8-5-21)28(38)29(22-6-9-25(30)26(31)16-22)17-23(29)19-35-12-14-36(15-13-35)27(37)20-34-10-2-3-11-34/h4-9,16,23H,2-3,10-15,17-20H2,1H3/t23-,29+/m0/s1
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12n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337406
PNG
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(N)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C31H34Cl2N4O2/c1-36(20-22-8-4-2-5-9-22)28(38)31(24-12-13-26(32)27(33)18-24)19-25(31)21-37-16-14-30(15-17-37,35-29(34)39)23-10-6-3-7-11-23/h2-13,18,25H,14-17,19-21H2,1H3,(H3,34,35,39)/t25-,31+/m0/s1
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12n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337439
PNG
(CHEMBL1682641 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-6-4-3-5-7-23)12-14-39(15-13-31)20-25-18-32(25,24-9-11-27(34)29(36)17-24)30(41)38(2)19-22-8-10-26(33)28(35)16-22/h3-11,16-17,25H,12-15,18-20H2,1-2H3,(H,37,40)
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13n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337445
PNG
(CHEMBL1682647 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccsc1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H33Cl2N3O2S/c1-21(36)33-29(23-6-4-3-5-7-23)11-13-35(14-12-29)19-25-17-30(25,24-8-9-26(31)27(32)16-24)28(37)34(2)18-22-10-15-38-20-22/h3-10,15-16,20,25H,11-14,17-19H2,1-2H3,(H,33,36)
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14n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337426
PNG
(CHEMBL1682629 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES COc1ccccc1CN(C)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H37Cl2N3O3/c1-23(39)36-32(25-10-5-4-6-11-25)15-17-38(18-16-32)22-27-20-33(27,26-13-14-28(34)29(35)19-26)31(40)37(2)21-24-9-7-8-12-30(24)41-3/h4-14,19,27H,15-18,20-22H2,1-3H3,(H,36,39)
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14n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337434
PNG
(CHEMBL1682636 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES COc1ccc(CN(C)C(=O)C2(CC2CN2CCC(CC2)(NC(C)=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C33H37Cl2N3O3/c1-23(39)36-32(25-7-5-4-6-8-25)15-17-38(18-16-32)22-27-20-33(27,26-11-14-29(34)30(35)19-26)31(40)37(2)21-24-9-12-28(41-3)13-10-24/h4-14,19,27H,15-18,20-22H2,1-3H3,(H,36,39)
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15n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337438
PNG
(CHEMBL1682640 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccc(Cl)cc1Cl)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-6-4-3-5-7-23)12-14-39(15-13-31)20-25-18-32(25,24-9-11-27(34)29(36)16-24)30(41)38(2)19-22-8-10-26(33)17-28(22)35/h3-11,16-17,25H,12-15,18-20H2,1-2H3,(H,37,40)
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16n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM81769
PNG
(CAS_79781-95-6 | NSC_3052780 | RILAPINE)
Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8|
Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3
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17n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337412
PNG
((1S,2R)-1-(3,4-dichlorophenyl)-2-((4-(3-(dimethyla...)
Show SMILES CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 |r|
Show InChI InChI=1S/C28H35Cl2FN4O2/c1-32(2)26(36)10-11-34-12-14-35(15-13-34)19-22-17-28(22,21-6-9-24(29)25(30)16-21)27(37)33(3)18-20-4-7-23(31)8-5-20/h4-9,16,22H,10-15,17-19H2,1-3H3/t22-,28+/m0/s1
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17n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337424
PNG
(CHEMBL1682627 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccccc1F)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H34Cl2FN3O2/c1-22(39)36-31(24-9-4-3-5-10-24)14-16-38(17-15-31)21-26-19-32(26,25-12-13-27(33)28(34)18-25)30(40)37(2)20-23-8-6-7-11-29(23)35/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39)
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18n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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19n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337423
PNG
(CHEMBL1682626 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1ccccc1Cl)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H34Cl3N3O2/c1-22(39)36-31(24-9-4-3-5-10-24)14-16-38(17-15-31)21-26-19-32(26,25-12-13-28(34)29(35)18-25)30(40)37(2)20-23-8-6-7-11-27(23)33/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39)
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20n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337440
PNG
(CHEMBL1682642 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-6-4-3-5-7-23)10-12-39(13-11-31)20-25-18-32(25,24-8-9-28(35)29(36)16-24)30(41)38(2)19-22-14-26(33)17-27(34)15-22/h3-9,14-17,25H,10-13,18-20H2,1-2H3,(H,37,40)
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23n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337437
PNG
(CHEMBL1682639 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1cccc(Cl)c1Cl)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-8-4-3-5-9-23)13-15-39(16-14-31)20-25-18-32(25,24-11-12-26(33)28(35)17-24)30(41)38(2)19-22-7-6-10-27(34)29(22)36/h3-12,17,25H,13-16,18-20H2,1-2H3,(H,37,40)
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24n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50337428
PNG
(CHEMBL1682631 | rac-2-((4-acetamido-4-phenylpiperi...)
Show SMILES CN(Cc1cccc(Cl)c1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H34Cl3N3O2/c1-22(39)36-31(24-8-4-3-5-9-24)13-15-38(16-14-31)21-26-19-32(26,25-11-12-28(34)29(35)18-25)30(40)37(2)20-23-7-6-10-27(33)17-23/h3-12,17-18,26H,13-16,19-21H2,1-2H3,(H,36,39)
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24n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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27n/an/an/an/an/an/an/an/a



University of Washington

Curated by PDSP Ki Database




J Neurochem 66: 47-56 (1996)


Article DOI: 10.1046/j.1471-4159.1996.66010047.x
BindingDB Entry DOI: 10.7270/Q20K2721
More data for this
Ligand-Target Pair
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