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Compile Data Set for Download or QSAR

Found 74 hits of kd data for polymerid = 50005946,7978   
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))
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))
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
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))
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))
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))
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))
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-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))
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))
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-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))
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))
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))
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
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