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PubMed code 9873462

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
Substance-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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0.600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50403654
PNG
(CHEMBL2115073)
Show SMILES CCC(O)(CC)C1CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C28H38Cl2N2O2/c1-4-28(34,5-2)24-14-17-32(18-15-24)16-13-23(22-11-12-25(29)26(30)19-22)20-31(3)27(33)21-9-7-6-8-10-21/h6-12,19,23-24,34H,4-5,13-18,20H2,1-3H3/t23-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071118
PNG
(CHEMBL2111522 | CHEMBL443264 | N-[2-(3,4-Dichloro-...)
Show SMILES CCC(N=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,25H,3,11-16,18H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50216091
PNG
(CHEMBL2111522)
Show SMILES CC\C(=N\O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,33H,3,11-16,18H2,1-2H3/b29-25-
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2.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071118
PNG
(CHEMBL2111522 | CHEMBL443264 | N-[2-(3,4-Dichloro-...)
Show SMILES CCC(N=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,25H,3,11-16,18H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071125
PNG
(CHEMBL56481 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-e...)
Show SMILES CCC(O)(CC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C28H38Cl2N2O2/c1-4-28(34,5-2)24-14-17-32(18-15-24)16-13-23(22-11-12-25(29)26(30)19-22)20-31(3)27(33)21-9-7-6-8-10-21/h6-12,19,23-24,34H,4-5,13-18,20H2,1-3H3
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3.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071120
PNG
(CHEMBL56788 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-h...)
Show SMILES CCCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C27H36Cl2N2O2/c1-3-7-26(32)20-12-15-31(16-13-20)17-14-23(22-10-11-24(28)25(29)18-22)19-30(2)27(33)21-8-5-4-6-9-21/h4-6,8-11,18,20,23,26,32H,3,7,12-17,19H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071119
PNG
(CHEMBL56143 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-h...)
Show SMILES CCCC(O)(CCC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C30H42Cl2N2O2/c1-4-16-30(36,17-5-2)26-14-19-34(20-15-26)18-13-25(24-11-12-27(31)28(32)21-24)22-33(3)29(35)23-9-7-6-8-10-23/h6-12,21,25-26,36H,4-5,13-20,22H2,1-3H3
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4.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071115
PNG
(CHEMBL58638 | N-[2-(3,4-Dichloro-phenyl)-4-(4-{1-[...)
Show SMILES CC\C(=N/OC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C27H35Cl2N3O2/c1-4-26(30-34-3)20-12-15-32(16-13-20)17-14-23(22-10-11-24(28)25(29)18-22)19-31(2)27(33)21-8-6-5-7-9-21/h5-11,18,20,23H,4,12-17,19H2,1-3H3/b30-26+
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6.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071121
PNG
(CHEMBL301437 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-...)
Show SMILES CN(CC(CCN1CCC(CC1)C(C)(C)O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H34Cl2N2O2/c1-26(2,32)22-12-15-30(16-13-22)14-11-21(20-9-10-23(27)24(28)17-20)18-29(3)25(31)19-7-5-4-6-8-19/h4-10,17,21-22,32H,11-16,18H2,1-3H3
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7.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071122
PNG
(CHEMBL417940 | N-[2-(3,4-Dichloro-phenyl)-4-(4-pro...)
Show SMILES CCC(=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H32Cl2N2O2/c1-3-25(31)19-11-14-30(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-29(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22H,3,11-16,18H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071126
PNG
(CHEMBL59542 | N-[2-(3,4-Dichloro-phenyl)-4-(4-prop...)
Show SMILES CCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H34Cl2N2O/c1-3-7-20-12-15-30(16-13-20)17-14-23(22-10-11-24(27)25(28)18-22)19-29(2)26(31)21-8-5-4-6-9-21/h4-6,8-11,18,20,23H,3,7,12-17,19H2,1-2H3
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9.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071124
PNG
(CHEMBL56739 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-h...)
Show SMILES CCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H34Cl2N2O2/c1-3-25(31)19-11-14-30(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-29(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,25,31H,3,11-16,18H2,1-2H3
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13n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071123
PNG
(CHEMBL56274 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-h...)
Show SMILES CC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C25H32Cl2N2O2/c1-18(30)19-10-13-29(14-11-19)15-12-22(21-8-9-23(26)24(27)16-21)17-28(2)25(31)20-6-4-3-5-7-20/h3-9,16,18-19,22,30H,10-15,17H2,1-2H3
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34n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071113
PNG
(Acetic acid 2-{1-[4-(benzoyl-methyl-amino)-3-(3,4-...)
Show SMILES CN(CC(CCN1CCC(CCOC(C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H34Cl2N2O3/c1-20(32)34-17-13-21-10-14-31(15-11-21)16-12-24(23-8-9-25(28)26(29)18-23)19-30(2)27(33)22-6-4-3-5-7-22/h3-9,18,21,24H,10-17,19H2,1-2H3
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40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071117
PNG
(CHEMBL292415 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-...)
Show SMILES CN(CC(CCN1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H32Cl2N2O2/c1-28(25(31)20-5-3-2-4-6-20)18-22(21-7-8-23(26)24(27)17-21)11-15-29-13-9-19(10-14-29)12-16-30/h2-8,17,19,22,30H,9-16,18H2,1H3
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47n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071116
PNG
(CHEMBL58331 | N-[4-[4-(2-Acetylamino-ethyl)-piperi...)
Show SMILES CN(CC(CCN1CCC(CCNC(C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H35Cl2N3O2/c1-20(33)30-14-10-21-11-15-32(16-12-21)17-13-24(23-8-9-25(28)26(29)18-23)19-31(2)27(34)22-6-4-3-5-7-22/h3-9,18,21,24H,10-17,19H2,1-2H3,(H,30,33)
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66n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071114
PNG
(CHEMBL57224 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...)
Show SMILES CN(CC(CCN1CCC(CO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H30Cl2N2O2/c1-27(24(30)19-5-3-2-4-6-19)16-21(20-7-8-22(25)23(26)15-20)11-14-28-12-9-18(17-29)10-13-28/h2-8,15,18,21,29H,9-14,16-17H2,1H3
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UniChem

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Article
PubMed
142n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00037-7
BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%