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PubMed code 12372524

Compile data set for download or QSAR
Found 74 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))		BDBM50120182
PNG
(CHEMBL107469 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...)
Show SMILES CC(=O)Nc1nc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cs1
Show InChI InChI=1S/C32H38Cl2N6O3S/c1-20-12-21(2)14-24(13-20)31(43)39-10-11-40(29(18-39)23-4-5-27(33)28(34)15-23)30(42)16-35-25-6-8-38(9-7-25)17-26-19-44-32(37-26)36-22(3)41/h4-5,12-15,19,25,29,35H,6-11,16-18H2,1-3H3,(H,36,37,41)/t29-/m0/s1
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 0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120186
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(S)-2-(3,4-dic...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3/t31-/m1/s1
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 0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120172
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32+/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120173
PNG
((S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@@H](N)c1ccccc1
Show InChI InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120181
PNG
(CHEMBL108997 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...)
Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-28(17-23)35(45)41-14-15-42(33(22-41)27-6-9-31(36)32(37)19-27)34(44)20-38-29-10-12-40(13-11-29)21-26-4-7-30(8-5-26)39-25(3)43/h4-9,16-19,29,33,38H,10-15,20-22H2,1-3H3,(H,39,43)/t33-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120204
PNG
(1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2cc[nH]c2)CC1
Show InChI InChI=1S/C31H37Cl2N5O2/c1-21-13-22(2)15-25(14-21)31(40)37-11-12-38(29(20-37)24-3-4-27(32)28(33)16-24)30(39)18-35-26-6-9-36(10-7-26)19-23-5-8-34-17-23/h3-5,8,13-17,26,29,34-35H,6-7,9-12,18-20H2,1-2H3/t29-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120180
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3
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 1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120202
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(S)-4-(3,5-bis...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2/t29-/m1/s1
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 1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120176
PNG
(1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C30H36Cl2N6O2/c1-20-13-21(2)15-23(14-20)30(40)37-11-12-38(27(18-37)22-3-4-25(31)26(32)16-22)29(39)17-35-24-5-9-36(10-6-24)19-28-33-7-8-34-28/h3-4,7-8,13-16,24,27,35H,5-6,9-12,17-19H2,1-2H3,(H,33,34)/t27-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120184
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dibromo...)
Show SMILES Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C31H32Br2Cl2N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2
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 3.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120205
PNG
((S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32-/m0/s1
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 3.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120175
PNG
(1-[4-Benzoyl-2-(3,4-dichloro-phenyl)-piperazin-1-y...)
Show SMILES Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H34Cl2N4O2/c32-27-12-11-25(19-28(27)33)29-22-36(31(39)24-9-5-2-6-10-24)17-18-37(29)30(38)20-34-26-13-15-35(16-14-26)21-23-7-3-1-4-8-23/h1-12,19,26,29,34H,13-18,20-22H2
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 3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120183
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(R)-2-(3,4-dic...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3/t31-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120180
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3
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 4.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120190
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-bis-tri...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2
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 5.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120189
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C35H41Cl2N5O4/c1-22-15-23(2)17-26(16-22)34(45)41-13-14-42(32(21-41)25-5-8-29(36)30(37)19-25)33(44)20-39-27-9-11-40(12-10-27)35(46)31(38)18-24-3-6-28(43)7-4-24/h3-8,15-17,19,27,31-32,39,43H,9-14,18,20-21,38H2,1-2H3/t31-,32+/m1/s1
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 7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120200
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O4/c1-42-27-16-25(17-28(19-27)43-2)33(41)38-14-15-39(31(22-38)24-8-9-29(34)30(35)18-24)32(40)20-36-26-10-12-37(13-11-26)21-23-6-4-3-5-7-23/h3-9,16-19,26,31,36H,10-15,20-22H2,1-2H3
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 7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120193
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dichlor...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H32Cl4N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2
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 7.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120206
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(R)-4-(3,5-bis...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2/t29-/m0/s1
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 8.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120172
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32+/m1/s1
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 11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120198
PNG
(2-[Bis-(4-hydroxy-4-phenyl-piperidin-1-yl)-amino]-...)
Show SMILES OC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccccc1)N1CCC(O)(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H47F6N5O3/c44-42(45,46)36-26-32(27-37(28-36)43(47,48)49)29-50-24-25-53(38(30-50)33-10-4-1-5-11-33)39(55)31-54(51-20-16-40(56,17-21-51)34-12-6-2-7-13-34)52-22-18-41(57,19-23-52)35-14-8-3-9-15-35/h1-15,26-28,38,56-57H,16-25,29-31H2
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 13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120184
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dibromo...)
Show SMILES Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C31H32Br2Cl2N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2
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 14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120193
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-dichlor...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H32Cl4N4O2/c32-24-14-23(15-25(33)17-24)31(41)38-12-13-39(29(20-38)22-6-7-27(34)28(35)16-22)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2
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 14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120181
PNG
(CHEMBL108997 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...)
Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cc1
Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-28(17-23)35(45)41-14-15-42(33(22-41)27-6-9-31(36)32(37)19-27)34(44)20-38-29-10-12-40(13-11-29)21-26-4-7-30(8-5-26)39-25(3)43/h4-9,16-19,29,33,38H,10-15,20-22H2,1-3H3,(H,39,43)/t33-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120197
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)c1ccccc1
Show InChI InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32+/m0/s1
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 16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120190
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[4-(3,5-bis-tri...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2
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 17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120192
PNG
(2-[N'-(1-Benzyl-piperidin-4-yl)-N-(amino-1-Benzyl-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(NC2CCN(Cc3ccccc3)CC2)NC2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H53F6N7O/c46-44(47,48)38-26-36(27-39(28-38)45(49,50)51)31-56-24-25-57(42(32-56)37-14-8-3-9-15-37)43(59)33-58(52-40-16-20-54(21-17-40)29-34-10-4-1-5-11-34)53-41-18-22-55(23-19-41)30-35-12-6-2-7-13-35/h1-15,26-28,40-42,52-53H,16-25,29-33H2
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 17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120195
PNG
(1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCNCC1
Show InChI InChI=1S/C26H32Cl2N4O2/c1-17-11-18(2)13-20(12-17)26(34)31-9-10-32(25(33)15-30-21-5-7-29-8-6-21)24(16-31)19-3-4-22(27)23(28)14-19/h3-4,11-14,21,24,29-30H,5-10,15-16H2,1-2H3/t24-/m0/s1
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 20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120205
PNG
((S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C35H41Cl2N5O3/c1-23-16-24(2)18-27(17-23)34(44)41-14-15-42(32(22-41)26-8-9-29(36)30(37)20-26)33(43)21-39-28-10-12-40(13-11-28)35(45)31(38)19-25-6-4-3-5-7-25/h3-9,16-18,20,28,31-32,39H,10-15,19,21-22,38H2,1-2H3/t31-,32-/m0/s1
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 21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120196
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES Fc1cc(F)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H32Cl2F2N4O2/c32-27-7-6-22(16-28(27)33)29-20-38(31(41)23-14-24(34)17-25(35)15-23)12-13-39(29)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2
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 22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120196
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES Fc1cc(F)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H32Cl2F2N4O2/c32-27-7-6-22(16-28(27)33)29-20-38(31(41)23-14-24(34)17-25(35)15-23)12-13-39(29)30(40)18-36-26-8-10-37(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,36H,8-13,18-20H2
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 23n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120183
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(R)-2-(3,4-dic...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3/t31-/m0/s1
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 25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120200
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O4/c1-42-27-16-25(17-28(19-27)43-2)33(41)38-14-15-39(31(22-38)24-8-9-29(34)30(35)18-24)32(40)20-36-26-10-12-37(13-11-26)21-23-6-4-3-5-7-23/h3-9,16-19,26,31,36H,10-15,20-22H2,1-2H3
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 27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120179
PNG
(2-[Bis-(4-benzyl-piperazin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CN(N2CCN(Cc3ccccc3)CC2)N2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C43H47Cl2F6N7O/c44-38-12-11-35(25-39(38)45)40-30-54(29-34-23-36(42(46,47)48)26-37(24-34)43(49,50)51)17-22-57(40)41(59)31-58(55-18-13-52(14-19-55)27-32-7-3-1-4-8-32)56-20-15-53(16-21-56)28-33-9-5-2-6-10-33/h1-12,23-26,40H,13-22,27-31H2
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 28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120199
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C37H42Cl2N6O3/c1-23-15-24(2)17-26(16-23)36(47)44-13-14-45(34(22-44)25-7-8-30(38)31(39)18-25)35(46)21-41-28-9-11-43(12-10-28)37(48)32(40)19-27-20-42-33-6-4-3-5-29(27)33/h3-8,15-18,20,28,32,34,41-42H,9-14,19,21-22,40H2,1-2H3/t32-,34+/m1/s1
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 28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120174
PNG
(2-[N'-(1-Benzyl-piperidin-4-yl)-N-(amino-1-Benzyl-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CN(NC2CCN(Cc3ccccc3)CC2)NC2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H51Cl2F6N7O/c46-40-12-11-35(25-41(40)47)42-30-58(29-34-23-36(44(48,49)50)26-37(24-34)45(51,52)53)21-22-59(42)43(61)31-60(54-38-13-17-56(18-14-38)27-32-7-3-1-4-8-32)55-39-15-19-57(20-16-39)28-33-9-5-2-6-10-33/h1-12,23-26,38-39,42,54-55H,13-22,27-31H2
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 30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120191
PNG
(2-[Bis-(4-hydroxy-4-phenyl-piperidin-1-yl)-amino]-...)
Show SMILES OC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccc(Cl)c(Cl)c1)N1CCC(O)(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H45Cl2F6N5O3/c44-36-12-11-31(25-37(36)45)38-28-52(27-30-23-34(42(46,47)48)26-35(24-30)43(49,50)51)21-22-55(38)39(57)29-56(53-17-13-40(58,14-18-53)32-7-3-1-4-8-32)54-19-15-41(59,16-20-54)33-9-5-2-6-10-33/h1-12,23-26,38,58-59H,13-22,27-29H2
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 32n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120189
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C35H41Cl2N5O4/c1-22-15-23(2)17-26(16-22)34(45)41-13-14-42(32(21-41)25-5-8-29(36)30(37)19-25)33(44)20-39-27-9-11-40(12-10-27)35(46)31(38)18-24-3-6-28(43)7-4-24/h3-8,15-17,19,27,31-32,39,43H,9-14,18,20-21,38H2,1-2H3/t31-,32+/m1/s1
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 32n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120204
PNG
(1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2cc[nH]c2)CC1
Show InChI InChI=1S/C31H37Cl2N5O2/c1-21-13-22(2)15-25(14-21)31(40)37-11-12-38(29(20-37)24-3-4-27(32)28(33)16-24)30(39)18-35-26-6-9-36(10-7-26)19-23-5-8-34-17-23/h3-5,8,13-17,26,29,34-35H,6-7,9-12,18-20H2,1-2H3/t29-/m0/s1
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 35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120178
PNG
(2-[Bis-(4-benzyl-piperidin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCC(Cc3ccccc3)CC2)N2CCC(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H51F6N5O/c46-44(47,48)40-28-38(29-41(30-40)45(49,50)51)31-52-24-25-55(42(32-52)39-14-8-3-9-15-39)43(57)33-56(53-20-16-36(17-21-53)26-34-10-4-1-5-11-34)54-22-18-37(19-23-54)27-35-12-6-2-7-13-35/h1-15,28-30,36-37,42H,16-27,31-33H2
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 37n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120173
PNG
((S)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@@H](N)c1ccccc1
Show InChI InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32-/m0/s1
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 42n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120206
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(R)-4-(3,5-bis...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2/t29-/m0/s1
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 48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120177
PNG
(2-[Bis-(4-benzyl-piperazin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCN(Cc3ccccc3)CC2)N2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C43H49F6N7O/c44-42(45,46)38-26-36(27-39(28-38)43(47,48)49)31-52-20-25-55(40(32-52)37-14-8-3-9-15-37)41(57)33-56(53-21-16-50(17-22-53)29-34-10-4-1-5-11-34)54-23-18-51(19-24-54)30-35-12-6-2-7-13-35/h1-15,26-28,40H,16-25,29-33H2
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 48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120188
PNG
(CHEMBL316553 | N-[1-((4-Acetylamino-4-phenyl-piper...)
Show SMILES CC(=O)NC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccccc1)N1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H53F6N7O3/c1-34(61)54-44(38-14-8-4-9-15-38)18-22-57(23-19-44)60(58-24-20-45(21-25-58,55-35(2)62)39-16-10-5-11-17-39)33-43(63)59-27-26-56(32-42(59)37-12-6-3-7-13-37)31-36-28-40(46(48,49)50)30-41(29-36)47(51,52)53/h3-17,28-30,42H,18-27,31-33H2,1-2H3,(H,54,61)(H,55,62)
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 48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120182
PNG
(CHEMBL107469 | N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phe...)
Show SMILES CC(=O)Nc1nc(CN2CCC(CC2)NCC(=O)N2CCN(C[C@H]2c2ccc(Cl)c(Cl)c2)C(=O)c2cc(C)cc(C)c2)cs1
Show InChI InChI=1S/C32H38Cl2N6O3S/c1-20-12-21(2)14-24(13-20)31(43)39-10-11-40(29(18-39)23-4-5-27(33)28(34)15-23)30(42)16-35-25-6-8-38(9-7-25)17-26-19-44-32(37-26)36-22(3)41/h4-5,12-15,19,25,29,35H,6-11,16-18H2,1-3H3,(H,36,37,41)/t29-/m0/s1
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 52n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120199
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C37H42Cl2N6O3/c1-23-15-24(2)17-26(16-23)36(47)44-13-14-45(34(22-44)25-7-8-30(38)31(39)18-25)35(46)21-41-28-9-11-43(12-10-28)37(48)32(40)19-27-20-42-33-6-4-3-5-29(27)33/h3-8,15-18,20,28,32,34,41-42H,9-14,19,21-22,40H2,1-2H3/t32-,34+/m1/s1
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 70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120176
PNG
(1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C30H36Cl2N6O2/c1-20-13-21(2)15-23(14-20)30(40)37-11-12-38(27(18-37)22-3-4-25(31)26(32)16-22)29(39)17-35-24-5-9-36(10-6-24)19-28-33-7-8-34-28/h3-4,7-8,13-16,24,27,35H,5-6,9-12,17-19H2,1-2H3,(H,33,34)/t27-/m0/s1
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 92n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120175
PNG
(1-[4-Benzoyl-2-(3,4-dichloro-phenyl)-piperazin-1-y...)
Show SMILES Clc1ccc(cc1Cl)C1CN(CCN1C(=O)CNC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H34Cl2N4O2/c32-27-12-11-25(19-28(27)33)29-22-36(31(39)24-9-5-2-6-10-24)17-18-37(29)30(38)20-34-26-13-15-35(16-14-26)21-23-7-3-1-4-8-23/h1-12,19,26,29,34H,13-18,20-22H2
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 93n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120194
PNG
(2-[Bis-(4-benzyl-piperidin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CN(N2CCC(Cc3ccccc3)CC2)N2CCC(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H49Cl2F6N5O/c46-40-12-11-37(27-41(40)47)42-30-54(29-36-25-38(44(48,49)50)28-39(26-36)45(51,52)53)21-22-57(42)43(59)31-58(55-17-13-34(14-18-55)23-32-7-3-1-4-8-32)56-19-15-35(16-20-56)24-33-9-5-2-6-10-33/h1-12,25-28,34-35,42H,13-24,29-31H2
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 110n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120201
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C34H40Cl2N4O5/c1-43-30-18-25(19-31(44-2)33(30)45-3)34(42)39-15-16-40(29(22-39)24-9-10-27(35)28(36)17-24)32(41)20-37-26-11-13-38(14-12-26)21-23-7-5-4-6-8-23/h4-10,17-19,26,29,37H,11-16,20-22H2,1-3H3
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 112n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120201
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C34H40Cl2N4O5/c1-43-30-18-25(19-31(44-2)33(30)45-3)34(42)39-15-16-40(29(22-39)24-9-10-27(35)28(36)17-24)32(41)20-37-26-11-13-38(14-12-26)21-23-7-5-4-6-8-23/h4-10,17-19,26,29,37H,11-16,20-22H2,1-3H3
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 124n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120203
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-(4-methyl-2-phe...)
Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H34N4O/c1-27-16-17-29(24(20-27)22-10-6-3-7-11-22)25(30)18-26-23-12-14-28(15-13-23)19-21-8-4-2-5-9-21/h2-11,23-24,26H,12-20H2,1H3
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 135n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120170
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-{4-[2-(3,5-bis-...)
Show SMILES FC(F)(F)c1cc(CC(=O)N2CCN(C(C2)c2ccccc2)C(=O)CNC2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H36F6N4O2/c35-33(36,37)27-17-25(18-28(20-27)34(38,39)40)19-31(45)43-15-16-44(30(23-43)26-9-5-2-6-10-26)32(46)21-41-29-11-13-42(14-12-29)22-24-7-3-1-4-8-24/h1-10,17-18,20,29-30,41H,11-16,19,21-23H2
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 136n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120197
PNG
((R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)c1ccccc1
Show InChI InChI=1S/C34H39Cl2N5O3/c1-22-16-23(2)18-26(17-22)33(43)40-14-15-41(30(21-40)25-8-9-28(35)29(36)19-25)31(42)20-38-27-10-12-39(13-11-27)34(44)32(37)24-6-4-3-5-7-24/h3-9,16-19,27,30,32,38H,10-15,20-21,37H2,1-2H3/t30-,32+/m0/s1
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 143n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120185
PNG
(CHEMBL325547 | N-[1-((4-Acetylamino-4-phenyl-piper...)
Show SMILES CC(=O)NC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccc(Cl)c(Cl)c1)N1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H51Cl2F6N7O3/c1-32(63)56-44(36-9-5-3-6-10-36)15-19-59(20-16-44)62(60-21-17-45(18-22-60,57-33(2)64)37-11-7-4-8-12-37)31-43(65)61-24-23-58(30-42(61)35-13-14-40(48)41(49)27-35)29-34-25-38(46(50,51)52)28-39(26-34)47(53,54)55/h3-14,25-28,42H,15-24,29-31H2,1-2H3,(H,56,63)(H,57,64)
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 148n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120174
PNG
(2-[N'-(1-Benzyl-piperidin-4-yl)-N-(amino-1-Benzyl-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CN(NC2CCN(Cc3ccccc3)CC2)NC2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H51Cl2F6N7O/c46-40-12-11-35(25-41(40)47)42-30-58(29-34-23-36(44(48,49)50)26-37(24-34)45(51,52)53)21-22-59(42)43(61)31-60(54-38-13-17-56(18-14-38)27-32-7-3-1-4-8-32)55-39-15-19-57(20-16-39)28-33-9-5-2-6-10-33/h1-12,23-26,38-39,42,54-55H,13-22,27-31H2
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 175n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120195
PNG
(1-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-ben...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCNCC1
Show InChI InChI=1S/C26H32Cl2N4O2/c1-17-11-18(2)13-20(12-17)26(34)31-9-10-32(25(33)15-30-21-5-7-29-8-6-21)24(16-31)19-3-4-22(27)23(28)14-19/h3-4,11-14,21,24,29-30H,5-10,15-16H2,1-2H3/t24-/m0/s1
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 215n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120186
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(S)-2-(3,4-dic...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCN([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3/t31-/m1/s1
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 219n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120202
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[(S)-4-(3,5-bis...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN([C@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H32Cl2F6N4O2/c34-27-7-6-22(16-28(27)35)29-20-44(31(47)23-14-24(32(36,37)38)17-25(15-23)33(39,40)41)12-13-45(29)30(46)18-42-26-8-10-43(11-9-26)19-21-4-2-1-3-5-21/h1-7,14-17,26,29,42H,8-13,18-20H2/t29-/m1/s1
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 270n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120192
PNG
(2-[N'-(1-Benzyl-piperidin-4-yl)-N-(amino-1-Benzyl-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(NC2CCN(Cc3ccccc3)CC2)NC2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H53F6N7O/c46-44(47,48)38-26-36(27-39(28-38)45(49,50)51)31-56-24-25-57(42(32-56)37-14-8-3-9-15-37)43(59)33-58(52-40-16-20-54(21-17-40)29-34-10-4-1-5-11-34)53-41-18-22-55(23-19-41)30-35-12-6-2-7-13-35/h1-15,26-28,40-42,52-53H,16-25,29-33H2
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 300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120188
PNG
(CHEMBL316553 | N-[1-((4-Acetylamino-4-phenyl-piper...)
Show SMILES CC(=O)NC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccccc1)N1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H53F6N7O3/c1-34(61)54-44(38-14-8-4-9-15-38)18-22-57(23-19-44)60(58-24-20-45(21-25-58,55-35(2)62)39-16-10-5-11-17-39)33-43(63)59-27-26-56(32-42(59)37-12-6-3-7-13-37)31-36-28-40(46(48,49)50)30-41(29-36)47(51,52)53/h3-17,28-30,42H,18-27,31-33H2,1-2H3,(H,54,61)(H,55,62)
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120179
PNG
(2-[Bis-(4-benzyl-piperazin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CN(N2CCN(Cc3ccccc3)CC2)N2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C43H47Cl2F6N7O/c44-38-12-11-35(25-39(38)45)40-30-54(29-34-23-36(42(46,47)48)26-37(24-34)43(49,50)51)17-22-57(40)41(59)31-58(55-18-13-52(14-19-55)27-32-7-3-1-4-8-32)56-20-15-53(16-21-56)28-33-9-5-2-6-10-33/h1-12,23-26,40H,13-22,27-31H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120170
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-{4-[2-(3,5-bis-...)
Show SMILES FC(F)(F)c1cc(CC(=O)N2CCN(C(C2)c2ccccc2)C(=O)CNC2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H36F6N4O2/c35-33(36,37)27-17-25(18-28(20-27)34(38,39)40)19-31(45)43-15-16-44(30(23-43)26-9-5-2-6-10-26)32(46)21-41-29-11-13-42(14-12-29)22-24-7-3-1-4-8-24/h1-10,17-18,20,29-30,41H,11-16,19,21-23H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120171
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES Oc1cc(O)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H34Cl2N4O4/c32-27-7-6-22(16-28(27)33)29-20-36(31(41)23-14-25(38)17-26(39)15-23)12-13-37(29)30(40)18-34-24-8-10-35(11-9-24)19-21-4-2-1-3-5-21/h1-7,14-17,24,29,34,38-39H,8-13,18-20H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120194
PNG
(2-[Bis-(4-benzyl-piperidin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CN(N2CCC(Cc3ccccc3)CC2)N2CCC(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H49Cl2F6N5O/c46-40-12-11-37(27-41(40)47)42-30-54(29-36-25-38(44(48,49)50)28-39(26-36)45(51,52)53)21-22-57(42)43(59)31-58(55-17-13-34(14-18-55)23-32-7-3-1-4-8-32)56-19-15-35(16-20-56)24-33-9-5-2-6-10-33/h1-12,25-28,34-35,42H,13-24,29-31H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50120187
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-{2-(3,4-dichlor...)
Show SMILES COc1cc(CC(=O)N2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CNC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Show InChI InChI=1S/C35H42Cl2N4O5/c1-44-31-17-25(18-32(45-2)35(31)46-3)19-33(42)40-15-16-41(30(23-40)26-9-10-28(36)29(37)20-26)34(43)21-38-27-11-13-39(14-12-27)22-24-7-5-4-6-8-24/h4-10,17-18,20,27,30,38H,11-16,19,21-23H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120187
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-{2-(3,4-dichlor...)
Show SMILES COc1cc(CC(=O)N2CCN(C(C2)c2ccc(Cl)c(Cl)c2)C(=O)CNC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Show InChI InChI=1S/C35H42Cl2N4O5/c1-44-31-17-25(18-32(45-2)35(31)46-3)19-33(42)40-15-16-41(30(23-40)26-9-10-28(36)29(37)20-26)34(43)21-38-27-11-13-39(14-12-27)22-24-7-5-4-6-8-24/h4-10,17-18,20,27,30,38H,11-16,19,21-23H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120185
PNG
(CHEMBL325547 | N-[1-((4-Acetylamino-4-phenyl-piper...)
Show SMILES CC(=O)NC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccc(Cl)c(Cl)c1)N1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H51Cl2F6N7O3/c1-32(63)56-44(36-9-5-3-6-10-36)15-19-59(20-16-44)62(60-21-17-45(18-22-60,57-33(2)64)37-11-7-4-8-12-37)31-43(65)61-24-23-58(30-42(61)35-13-14-40(48)41(49)27-35)29-34-25-38(46(50,51)52)28-39(26-34)47(53,54)55/h3-14,25-28,42H,15-24,29-31H2,1-2H3,(H,56,63)(H,57,64)
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120178
PNG
(2-[Bis-(4-benzyl-piperidin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCC(Cc3ccccc3)CC2)N2CCC(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H51F6N5O/c46-44(47,48)40-28-38(29-41(30-40)45(49,50)51)31-52-24-25-55(42(32-52)39-14-8-3-9-15-39)43(57)33-56(53-20-16-36(17-21-53)26-34-10-4-1-5-11-34)54-22-18-37(19-23-54)27-35-12-6-2-7-13-35/h1-15,28-30,36-37,42H,16-27,31-33H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120171
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichlor...)
Show SMILES Oc1cc(O)cc(c1)C(=O)N1CCN(C(C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H34Cl2N4O4/c32-27-7-6-22(16-28(27)33)29-20-36(31(41)23-14-25(38)17-26(39)15-23)12-13-37(29)30(40)18-34-24-8-10-35(11-9-24)19-21-4-2-1-3-5-21/h1-7,14-17,24,29,34,38-39H,8-13,18-20H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120177
PNG
(2-[Bis-(4-benzyl-piperazin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCN(Cc3ccccc3)CC2)N2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C43H49F6N7O/c44-42(45,46)38-26-36(27-39(28-38)43(47,48)49)31-52-20-25-55(40(32-52)37-14-8-3-9-15-37)41(57)33-56(53-21-16-50(17-22-53)29-34-10-4-1-5-11-34)54-23-18-51(19-24-54)30-35-12-6-2-7-13-35/h1-15,26-28,40H,16-25,29-33H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120203
PNG
(2-(1-Benzyl-piperidin-4-ylamino)-1-(4-methyl-2-phe...)
Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H34N4O/c1-27-16-17-29(24(20-27)22-10-6-3-7-11-22)25(30)18-26-23-12-14-28(15-13-23)19-21-8-4-2-5-9-21/h2-11,23-24,26H,12-20H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120191
PNG
(2-[Bis-(4-hydroxy-4-phenyl-piperidin-1-yl)-amino]-...)
Show SMILES OC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccc(Cl)c(Cl)c1)N1CCC(O)(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H45Cl2F6N5O3/c44-36-12-11-31(25-37(36)45)38-28-52(27-30-23-34(42(46,47)48)26-35(24-30)43(49,50)51)21-22-55(38)39(57)29-56(53-17-13-40(58,14-18-53)32-7-3-1-4-8-32)54-19-15-41(59,16-20-54)33-9-5-2-6-10-33/h1-12,23-26,38,58-59H,13-22,27-29H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50120198
PNG
(2-[Bis-(4-hydroxy-4-phenyl-piperidin-1-yl)-amino]-...)
Show SMILES OC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccccc1)N1CCC(O)(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H47F6N5O3/c44-42(45,46)36-26-32(27-37(28-36)43(47,48)49)29-50-24-25-53(38(30-50)33-10-4-1-5-11-33)39(55)31-54(51-20-16-40(56,17-21-51)34-12-6-2-7-13-34)52-22-18-41(57,19-23-52)35-14-8-3-9-15-35/h1-15,26-28,38,56-57H,16-25,29-31H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%