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PubMed code 12161132

Compile data set for download or QSAR
Found 102 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))
BDBM50116745
PNG
(CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116736
PNG
(CHEMBL74956 | N-{(R)-5-{4-[3-(1-Carbamoyl-1-methyl...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)C(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-33(2,31(38)45)43-12-5-11-42(32(43)46)25-8-13-41(14-9-25)15-10-26(21-6-7-27(36)28(37)18-21)29(39-47-4)20-40(3)30(44)22-16-23(34)19-24(35)17-22/h6-7,16-19,25-26H,5,8-15,20H2,1-4H3,(H2,38,45)/b39-29+/t26-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116717
PNG
(3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116722
PNG
(CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116745
PNG
(CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116745
PNG
(CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116736
PNG
(CHEMBL74956 | N-{(R)-5-{4-[3-(1-Carbamoyl-1-methyl...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)C(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-33(2,31(38)45)43-12-5-11-42(32(43)46)25-8-13-41(14-9-25)15-10-26(21-6-7-27(36)28(37)18-21)29(39-47-4)20-40(3)30(44)22-16-23(34)19-24(35)17-22/h6-7,16-19,25-26H,5,8-15,20H2,1-4H3,(H2,38,45)/b39-29+/t26-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116717
PNG
(3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116733
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H37Cl4N5O3/c1-36-10-4-11-39(30(36)41)24-7-12-38(13-8-24)14-9-25(20-5-6-26(33)27(34)17-20)28(35-42-3)19-37(2)29(40)21-15-22(31)18-23(32)16-21/h5-6,15-18,24-25H,4,7-14,19H2,1-3H3/b35-28+/t25-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116732
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116740
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116732
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116715
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116727
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116726
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl4N6O3/c1-41(33(45)24-18-25(35)21-26(36)19-24)22-31(40-47-2)28(23-7-8-29(37)30(38)20-23)11-17-42-15-9-27(10-16-42)43-13-5-14-44(34(43)46)32-6-3-4-12-39-32/h3-4,6-8,12,18-21,27-28H,5,9-11,13-17,22H2,1-2H3/b40-31+/t28-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116722
PNG
(CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116726
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl4N6O3/c1-41(33(45)24-18-25(35)21-26(36)19-24)22-31(40-47-2)28(23-7-8-29(37)30(38)20-23)11-17-42-15-9-27(10-16-42)43-13-5-14-44(34(43)46)32-6-3-4-12-39-32/h3-4,6-8,12,18-21,27-28H,5,9-11,13-17,22H2,1-2H3/b40-31+/t28-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116727
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116715
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116721
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116732
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116722
PNG
(CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116731
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H40Cl4N6O3/c1-42(34(46)25-18-26(36)21-27(37)19-25)23-33(41-48-2)30(24-7-8-31(38)32(39)20-24)11-17-43-15-9-29(10-16-43)45-14-5-13-44(35(45)47)22-28-6-3-4-12-40-28/h3-4,6-8,12,18-21,29-30H,5,9-11,13-17,22-23H2,1-2H3/b41-33+/t30-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116733
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H37Cl4N5O3/c1-36-10-4-11-39(30(36)41)24-7-12-38(13-8-24)14-9-25(20-5-6-26(33)27(34)17-20)28(35-42-3)19-37(2)29(40)21-15-22(31)18-23(32)16-21/h5-6,15-18,24-25H,4,7-14,19H2,1-3H3/b35-28+/t25-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116739
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl4N5O4/c1-35(28(39)20-14-21(30)17-22(31)15-20)18-27(34-42-2)24(19-4-5-25(32)26(33)16-19)8-13-36-11-6-23(7-12-36)37-9-3-10-38(41)29(37)40/h4-5,14-17,23-24,41H,3,6-13,18H2,1-2H3/b34-27+/t24-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116739
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl4N5O4/c1-35(28(39)20-14-21(30)17-22(31)15-20)18-27(34-42-2)24(19-4-5-25(32)26(33)16-19)8-13-36-11-6-23(7-12-36)37-9-3-10-38(41)29(37)40/h4-5,14-17,23-24,41H,3,6-13,18H2,1-2H3/b34-27+/t24-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116731
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H40Cl4N6O3/c1-42(34(46)25-18-26(36)21-27(37)19-25)23-33(41-48-2)30(24-7-8-31(38)32(39)20-24)11-17-43-15-9-29(10-16-43)45-14-5-13-44(35(45)47)22-28-6-3-4-12-40-28/h3-4,6-8,12,18-21,29-30H,5,9-11,13-17,22-23H2,1-2H3/b41-33+/t30-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116721
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116736
PNG
(CHEMBL74956 | N-{(R)-5-{4-[3-(1-Carbamoyl-1-methyl...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)C(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-33(2,31(38)45)43-12-5-11-42(32(43)46)25-8-13-41(14-9-25)15-10-26(21-6-7-27(36)28(37)18-21)29(39-47-4)20-40(3)30(44)22-16-23(34)19-24(35)17-22/h6-7,16-19,25-26H,5,8-15,20H2,1-4H3,(H2,38,45)/b39-29+/t26-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116733
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H37Cl4N5O3/c1-36-10-4-11-39(30(36)41)24-7-12-38(13-8-24)14-9-25(20-5-6-26(33)27(34)17-20)28(35-42-3)19-37(2)29(40)21-15-22(31)18-23(32)16-21/h5-6,15-18,24-25H,4,7-14,19H2,1-3H3/b35-28+/t25-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116731
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H40Cl4N6O3/c1-42(34(46)25-18-26(36)21-27(37)19-25)23-33(41-48-2)30(24-7-8-31(38)32(39)20-24)11-17-43-15-9-29(10-16-43)45-14-5-13-44(35(45)47)22-28-6-3-4-12-40-28/h3-4,6-8,12,18-21,29-30H,5,9-11,13-17,22-23H2,1-2H3/b41-33+/t30-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116715
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116740
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116727
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116747
PNG
(3,5-Dichloro-N-((R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2nnn[nH]2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H37Cl4N9O3/c1-41(30(45)21-14-22(32)17-23(33)15-21)18-28(38-47-2)25(20-4-5-26(34)27(35)16-20)8-13-42-11-6-24(7-12-42)44-10-3-9-43(31(44)46)19-29-36-39-40-37-29/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H,36,37,39,40)/b38-28+/t25-/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 against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116721
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C(C)C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H41Cl4N5O3/c1-21(2)40-11-5-12-41(32(40)43)26-8-13-39(14-9-26)15-10-27(22-6-7-28(35)29(36)18-22)30(37-44-4)20-38(3)31(42)23-16-24(33)19-25(34)17-23/h6-7,16-19,21,26-27H,5,8-15,20H2,1-4H3/b37-30+/t27-/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116740
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/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 against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116725
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C32H40Cl4N6O4/c1-37-30(43)20-41-10-4-11-42(32(41)45)25-7-12-40(13-8-25)14-9-26(21-5-6-27(35)28(36)17-21)29(38-46-3)19-39(2)31(44)22-15-23(33)18-24(34)16-22/h5-6,15-18,25-26H,4,7-14,19-20H2,1-3H3,(H,37,43)/b38-29+/t26-/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116747
PNG
(3,5-Dichloro-N-((R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2nnn[nH]2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H37Cl4N9O3/c1-41(30(45)21-14-22(32)17-23(33)15-21)18-28(38-47-2)25(20-4-5-26(34)27(35)16-20)8-13-42-11-6-24(7-12-42)44-10-3-9-43(31(44)46)19-29-36-39-40-37-29/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H,36,37,39,40)/b38-28+/t25-/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116739
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl4N5O4/c1-35(28(39)20-14-21(30)17-22(31)15-20)18-27(34-42-2)24(19-4-5-25(32)26(33)16-19)8-13-36-11-6-23(7-12-36)37-9-3-10-38(41)29(37)40/h4-5,14-17,23-24,41H,3,6-13,18H2,1-2H3/b34-27+/t24-/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116723
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Cl4N5O3/c1-39(31(42)21-15-22(33)18-23(34)16-21)19-29(38-44-2)25(20-7-8-26(35)27(36)17-20)11-14-40-12-9-24(10-13-40)41-30-6-4-3-5-28(30)37-32(41)43/h3-8,15-18,24-25H,9-14,19H2,1-2H3,(H,37,43)/b38-29+/t25-/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116742
PNG
(CHEMBL75479 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H43Cl4N5O5/c1-44(37(49)28-19-29(39)22-30(40)20-28)23-35(43-51-2)32(27-9-10-33(41)34(42)21-27)13-18-45-16-11-31(12-17-45)47-15-6-14-46(38(47)50)24-36(48)52-25-26-7-4-3-5-8-26/h3-5,7-10,19-22,31-32H,6,11-18,23-25H2,1-2H3/b43-35+/t32-/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116744
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccoc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116744
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccoc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/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 against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116735
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccsc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl4N5O3S/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116742
PNG
(CHEMBL75479 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H43Cl4N5O5/c1-44(37(49)28-19-29(39)22-30(40)20-28)23-35(43-51-2)32(27-9-10-33(41)34(42)21-27)13-18-45-16-11-31(12-17-45)47-15-6-14-46(38(47)50)24-36(48)52-25-26-7-4-3-5-8-26/h3-5,7-10,19-22,31-32H,6,11-18,23-25H2,1-2H3/b43-35+/t32-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116725
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C32H40Cl4N6O4/c1-37-30(43)20-41-10-4-11-42(32(41)45)25-7-12-40(13-8-25)14-9-26(21-5-6-27(35)28(36)17-21)29(38-46-3)19-39(2)31(44)22-15-23(33)18-24(34)16-22/h5-6,15-18,25-26H,4,7-14,19-20H2,1-3H3,(H,37,43)/b38-29+/t26-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116723
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Cl4N5O3/c1-39(31(42)21-15-22(33)18-23(34)16-21)19-29(38-44-2)25(20-7-8-26(35)27(36)17-20)11-14-40-12-9-24(10-13-40)41-30-6-4-3-5-28(30)37-32(41)43/h3-8,15-18,24-25H,9-14,19H2,1-2H3,(H,37,43)/b38-29+/t25-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116729
PNG
((R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-...)
Show SMILES CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C40H47Cl4N5O6/c1-4-55-39(52)37(20-26-6-9-32(50)10-7-26)49-16-5-15-48(40(49)53)31-12-17-47(18-13-31)19-14-33(27-8-11-34(43)35(44)23-27)36(45-54-3)25-46(2)38(51)28-21-29(41)24-30(42)22-28/h6-11,21-24,31,33,37,50H,4-5,12-20,25H2,1-3H3/b45-36+/t33-,37-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116737
PNG
(CHEMBL312612 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...)
Show SMILES CO\N=C(/CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H36Cl4FN5O5/c1-50-41-30(20-43(15-11-40)34(48)23-16-24(36)19-25(37)17-23)27(22-6-7-28(38)29(39)18-22)10-14-42-12-8-26(9-13-42)45-32-5-3-2-4-31(32)44(35(45)49)21-33(46)47/h2-7,16-19,26-27H,8-15,20-21H2,1H3,(H,46,47)/b41-30+/t27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116720
PNG
(CHEMBL77042 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H35Cl4N5O5/c1-40(33(46)22-15-23(35)18-24(36)16-22)19-29(39-48-2)26(21-7-8-27(37)28(38)17-21)11-14-41-12-9-25(10-13-41)43-31-6-4-3-5-30(31)42(34(43)47)20-32(44)45/h3-8,15-18,25-26H,9-14,19-20H2,1-2H3,(H,44,45)/b39-29+/t26-/m1/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116725
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)CN1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C32H40Cl4N6O4/c1-37-30(43)20-41-10-4-11-42(32(41)45)25-7-12-40(13-8-25)14-9-26(21-5-6-27(35)28(36)17-21)29(38-46-3)19-39(2)31(44)22-15-23(33)18-24(34)16-22/h5-6,15-18,25-26H,4,7-14,19-20H2,1-3H3,(H,37,43)/b38-29+/t26-/m1/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 against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116730
PNG
(CHEMBL78851 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)OC)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H37Cl4N5O5/c1-41(34(46)23-16-24(36)19-25(37)17-23)20-30(40-49-3)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)44-32-7-5-4-6-31(32)43(35(44)47)21-33(45)48-2/h4-9,16-19,26-27H,10-15,20-21H2,1-3H3/b40-30+/t27-/m1/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116717
PNG
(3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116719
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(C)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H35Cl4N5O3/c1-39(32(43)22-16-23(34)19-24(35)17-22)20-29(38-45-3)26(21-8-9-27(36)28(37)18-21)12-15-41-13-10-25(11-14-41)42-31-7-5-4-6-30(31)40(2)33(42)44/h4-9,16-19,25-26H,10-15,20H2,1-3H3/b38-29+/t26-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116719
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(C)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H35Cl4N5O3/c1-39(32(43)22-16-23(34)19-24(35)17-22)20-29(38-45-3)26(21-8-9-27(36)28(37)18-21)12-15-41-13-10-25(11-14-41)42-31-7-5-4-6-30(31)40(2)33(42)44/h4-9,16-19,25-26H,10-15,20H2,1-3H3/b38-29+/t26-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116729
PNG
((R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-...)
Show SMILES CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C40H47Cl4N5O6/c1-4-55-39(52)37(20-26-6-9-32(50)10-7-26)49-16-5-15-48(40(49)53)31-12-17-47(18-13-31)19-14-33(27-8-11-34(43)35(44)23-27)36(45-54-3)25-46(2)38(51)28-21-29(41)24-30(42)22-28/h6-11,21-24,31,33,37,50H,4-5,12-20,25H2,1-3H3/b45-36+/t33-,37-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116720
PNG
(CHEMBL77042 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H35Cl4N5O5/c1-40(33(46)22-15-23(35)18-24(36)16-22)19-29(39-48-2)26(21-7-8-27(37)28(38)17-21)11-14-41-12-9-25(10-13-41)43-31-6-4-3-5-30(31)42(34(43)47)20-32(44)45/h3-8,15-18,25-26H,9-14,19-20H2,1-2H3,(H,44,45)/b39-29+/t26-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116730
PNG
(CHEMBL78851 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)OC)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H37Cl4N5O5/c1-41(34(46)23-16-24(36)19-25(37)17-23)20-30(40-49-3)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)44-32-7-5-4-6-31(32)43(35(44)47)21-33(45)48-2/h4-9,16-19,26-27H,10-15,20-21H2,1-3H3/b40-30+/t27-/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 against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116726
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl4N6O3/c1-41(33(45)24-18-25(35)21-26(36)19-24)22-31(40-47-2)28(23-7-8-29(37)30(38)20-23)11-17-42-15-9-27(10-16-42)43-13-5-14-44(34(43)46)32-6-3-4-12-39-32/h3-4,6-8,12,18-21,27-28H,5,9-11,13-17,22H2,1-2H3/b40-31+/t28-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116743
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)NCCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C38H44Cl4N6O5/c1-4-46(37(50)26-19-27(39)22-28(40)20-26)23-33(44-53-3)30(25-9-10-31(41)32(42)21-25)13-17-45-15-11-29(12-16-45)48-35-8-6-5-7-34(35)47(38(48)51)24-36(49)43-14-18-52-2/h5-10,19-22,29-30H,4,11-18,23-24H2,1-3H3,(H,43,49)/b44-33+/t30-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116747
PNG
(3,5-Dichloro-N-((R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2nnn[nH]2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H37Cl4N9O3/c1-41(30(45)21-14-22(32)17-23(33)15-21)18-28(38-47-2)25(20-4-5-26(34)27(35)16-20)8-13-42-11-6-24(7-12-42)44-10-3-9-43(31(44)46)19-29-36-39-40-37-29/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H,36,37,39,40)/b38-28+/t25-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116741
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C36H41Cl4N5O4/c1-4-43(35(46)25-19-26(37)22-27(38)20-25)23-32(41-49-3)29(24-9-10-30(39)31(40)21-24)13-16-42-14-11-28(12-15-42)45-34-8-6-5-7-33(34)44(36(45)47)17-18-48-2/h5-10,19-22,28-29H,4,11-18,23H2,1-3H3/b41-32+/t29-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116744
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccoc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116734
PNG
(3,5-Dichloro-N-{(R)-5-[4-(3-cyanomethyl-2-oxo-2,3-...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC#N)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H36Cl4N6O3/c1-3-43(34(46)24-18-25(36)21-26(37)19-24)22-31(41-48-2)28(23-8-9-29(38)30(39)20-23)12-16-42-14-10-27(11-15-42)45-33-7-5-4-6-32(33)44(17-13-40)35(45)47/h4-9,18-21,27-28H,3,10-12,14-17,22H2,1-2H3/b41-31+/t28-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116714
PNG
(CHEMBL76529 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(N)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H38Cl4N6O4/c1-3-43(34(47)23-16-24(36)19-25(37)17-23)20-30(41-49-2)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)45-32-7-5-4-6-31(32)44(35(45)48)21-33(40)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H2,40,46)/b41-30+/t27-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116738
PNG
(CHEMBL307877 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116735
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccsc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl4N5O3S/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116734
PNG
(3,5-Dichloro-N-{(R)-5-[4-(3-cyanomethyl-2-oxo-2,3-...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC#N)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H36Cl4N6O3/c1-3-43(34(46)24-18-25(36)21-26(37)19-24)22-31(41-48-2)28(23-8-9-29(38)30(39)20-23)12-16-42-14-10-27(11-15-42)45-33-7-5-4-6-32(33)44(17-13-40)35(45)47/h4-9,18-21,27-28H,3,10-12,14-17,22H2,1-2H3/b41-31+/t28-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116718
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C33H35Cl4N5O3/c1-3-41(32(43)22-16-23(34)19-24(35)17-22)20-30(39-45-2)26(21-8-9-27(36)28(37)18-21)12-15-40-13-10-25(11-14-40)42-31-7-5-4-6-29(31)38-33(42)44/h4-9,16-19,25-26H,3,10-15,20H2,1-2H3,(H,38,44)/b39-30+/t26-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116716
PNG
(3,5-Dichloro-N-cyclopropyl-N-{(R)-3-(3,4-dichloro-...)
Show SMILES CO\N=C(/CN(C1CC1)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H35Cl4N5O3/c1-46-40-31(20-42(25-7-8-25)33(44)22-16-23(35)19-24(36)17-22)27(21-6-9-28(37)29(38)18-21)12-15-41-13-10-26(11-14-41)43-32-5-3-2-4-30(32)39-34(43)45/h2-6,9,16-19,25-27H,7-8,10-15,20H2,1H3,(H,39,45)/b40-31+/t27-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116718
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C33H35Cl4N5O3/c1-3-41(32(43)22-16-23(34)19-24(35)17-22)20-30(39-45-2)26(21-8-9-27(36)28(37)18-21)12-15-40-13-10-25(11-14-40)42-31-7-5-4-6-29(31)38-33(42)44/h4-9,16-19,25-26H,3,10-15,20H2,1-2H3,(H,38,44)/b39-30+/t26-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116746
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(Cc2ccccn2)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C39H40Cl4N6O3/c1-3-47(38(50)27-20-28(40)23-29(41)21-27)25-35(45-52-2)32(26-11-12-33(42)34(43)22-26)15-19-46-17-13-31(14-18-46)49-37-10-5-4-9-36(37)48(39(49)51)24-30-8-6-7-16-44-30/h4-12,16,20-23,31-32H,3,13-15,17-19,24-25H2,1-2H3/b45-35+/t32-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116746
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(Cc2ccccn2)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C39H40Cl4N6O3/c1-3-47(38(50)27-20-28(40)23-29(41)21-27)25-35(45-52-2)32(26-11-12-33(42)34(43)22-26)15-19-46-17-13-31(14-18-46)49-37-10-5-4-9-36(37)48(39(49)51)24-30-8-6-7-16-44-30/h4-12,16,20-23,31-32H,3,13-15,17-19,24-25H2,1-2H3/b45-35+/t32-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116728
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](\C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C37H42Cl4N6O4/c1-4-42-35(48)23-46-33-8-6-7-9-34(33)47(37(46)50)28-12-15-44(16-13-28)17-14-29(24-10-11-30(40)31(41)20-24)32(43-51-3)22-45(5-2)36(49)25-18-26(38)21-27(39)19-25/h6-11,18-21,28-29H,4-5,12-17,22-23H2,1-3H3,(H,42,48)/b43-32+/t29-/m1/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116737
PNG
(CHEMBL312612 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...)
Show SMILES CO\N=C(/CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H36Cl4FN5O5/c1-50-41-30(20-43(15-11-40)34(48)23-16-24(36)19-25(37)17-23)27(22-6-7-28(38)29(39)18-22)10-14-42-12-8-26(9-13-42)45-32-5-3-2-4-31(32)44(35(45)49)21-33(46)47/h2-7,16-19,26-27H,8-15,20-21H2,1H3,(H,46,47)/b41-30+/t27-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116735
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(Cc2ccsc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl4N5O3S/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/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 against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116724
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H34Cl4FN5O3/c1-46-40-30(20-42(15-11-38)32(44)22-16-23(34)19-24(35)17-22)26(21-6-7-27(36)28(37)18-21)10-14-41-12-8-25(9-13-41)43-31-5-3-2-4-29(31)39-33(43)45/h2-7,16-19,25-26H,8-15,20H2,1H3,(H,39,45)/b40-30+/t26-/m1/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 against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116728
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](\C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C37H42Cl4N6O4/c1-4-42-35(48)23-46-33-8-6-7-9-34(33)47(37(46)50)28-12-15-44(16-13-28)17-14-29(24-10-11-30(40)31(41)20-24)32(43-51-3)22-45(5-2)36(49)25-18-26(38)21-27(39)19-25/h6-11,18-21,28-29H,4-5,12-17,22-23H2,1-3H3,(H,42,48)/b43-32+/t29-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116741
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C36H41Cl4N5O4/c1-4-43(35(46)25-19-26(37)22-27(38)20-25)23-32(41-49-3)29(24-9-10-30(39)31(40)21-24)13-16-42-14-11-28(12-15-42)45-34-8-6-5-7-33(34)44(36(45)47)17-18-48-2/h5-10,19-22,28-29H,4,11-18,23H2,1-3H3/b41-32+/t29-/m1/s1
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116743
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)NCCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C38H44Cl4N6O5/c1-4-46(37(50)26-19-27(39)22-28(40)20-26)23-33(44-53-3)30(25-9-10-31(41)32(42)21-25)13-17-45-15-11-29(12-16-45)48-35-8-6-5-7-34(35)47(38(48)51)24-36(49)43-14-18-52-2/h5-10,19-22,29-30H,4,11-18,23-24H2,1-3H3,(H,43,49)/b44-33+/t30-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116714
PNG
(CHEMBL76529 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(N)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H38Cl4N6O4/c1-3-43(34(47)23-16-24(36)19-25(37)17-23)20-30(41-49-2)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)45-32-7-5-4-6-31(32)44(35(45)48)21-33(40)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H2,40,46)/b41-30+/t27-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116724
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H34Cl4FN5O3/c1-46-40-30(20-42(15-11-38)32(44)22-16-23(34)19-24(35)17-22)26(21-6-7-27(36)28(37)18-21)10-14-41-12-8-25(9-13-41)43-31-5-3-2-4-29(31)39-33(43)45/h2-7,16-19,25-26H,8-15,20H2,1H3,(H,39,45)/b40-30+/t26-/m1/s1
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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 against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116738
PNG
(CHEMBL307877 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116723
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Cl4N5O3/c1-39(31(42)21-15-22(33)18-23(34)16-21)19-29(38-44-2)25(20-7-8-26(35)27(36)17-20)11-14-40-12-9-24(10-13-40)41-30-6-4-3-5-28(30)37-32(41)43/h3-8,15-18,24-25H,9-14,19H2,1-2H3,(H,37,43)/b38-29+/t25-/m1/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116729
PNG
((R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-...)
Show SMILES CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C40H47Cl4N5O6/c1-4-55-39(52)37(20-26-6-9-32(50)10-7-26)49-16-5-15-48(40(49)53)31-12-17-47(18-13-31)19-14-33(27-8-11-34(43)35(44)23-27)36(45-54-3)25-46(2)38(51)28-21-29(41)24-30(42)22-28/h6-11,21-24,31,33,37,50H,4-5,12-20,25H2,1-3H3/b45-36+/t33-,37-/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 against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116720
PNG
(CHEMBL77042 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H35Cl4N5O5/c1-40(33(46)22-15-23(35)18-24(36)16-22)19-29(39-48-2)26(21-7-8-27(37)28(38)17-21)11-14-41-12-9-25(10-13-41)43-31-6-4-3-5-30(31)42(34(43)47)20-32(44)45/h3-8,15-18,25-26H,9-14,19-20H2,1-2H3,(H,44,45)/b39-29+/t26-/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 against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116742
PNG
(CHEMBL75479 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=O)OCc2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H43Cl4N5O5/c1-44(37(49)28-19-29(39)22-30(40)20-28)23-35(43-51-2)32(27-9-10-33(41)34(42)21-27)13-18-45-16-11-31(12-17-45)47-15-6-14-46(38(47)50)24-36(48)52-25-26-7-4-3-5-8-26/h3-5,7-10,19-22,31-32H,6,11-18,23-25H2,1-2H3/b43-35+/t32-/m1/s1
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12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116719
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(C)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H35Cl4N5O3/c1-39(32(43)22-16-23(34)19-24(35)17-22)20-29(38-45-3)26(21-8-9-27(36)28(37)18-21)12-15-41-13-10-25(11-14-41)42-31-7-5-4-6-30(31)40(2)33(42)44/h4-9,16-19,25-26H,10-15,20H2,1-3H3/b38-29+/t26-/m1/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 against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116730
PNG
(CHEMBL78851 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)OC)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H37Cl4N5O5/c1-41(34(46)23-16-24(36)19-25(37)17-23)20-30(40-49-3)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)44-32-7-5-4-6-31(32)43(35(44)47)21-33(45)48-2/h4-9,16-19,26-27H,10-15,20-21H2,1-3H3/b40-30+/t27-/m1/s1
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29n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116718
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C33H35Cl4N5O3/c1-3-41(32(43)22-16-23(34)19-24(35)17-22)20-30(39-45-2)26(21-8-9-27(36)28(37)18-21)12-15-40-13-10-25(11-14-40)42-31-7-5-4-6-29(31)38-33(42)44/h4-9,16-19,25-26H,3,10-15,20H2,1-2H3,(H,38,44)/b39-30+/t26-/m1/s1
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97n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116716
PNG
(3,5-Dichloro-N-cyclopropyl-N-{(R)-3-(3,4-dichloro-...)
Show SMILES CO\N=C(/CN(C1CC1)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H35Cl4N5O3/c1-46-40-31(20-42(25-7-8-25)33(44)22-16-23(35)19-24(36)17-22)27(21-6-9-28(37)29(38)18-21)12-15-41-13-10-26(11-14-41)43-32-5-3-2-4-30(32)39-34(43)45/h2-6,9,16-19,25-27H,7-8,10-15,20H2,1H3,(H,39,45)/b40-31+/t27-/m1/s1
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103n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116716
PNG
(3,5-Dichloro-N-cyclopropyl-N-{(R)-3-(3,4-dichloro-...)
Show SMILES CO\N=C(/CN(C1CC1)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H35Cl4N5O3/c1-46-40-31(20-42(25-7-8-25)33(44)22-16-23(35)19-24(36)17-22)27(21-6-9-28(37)29(38)18-21)12-15-41-13-10-26(11-14-41)43-32-5-3-2-4-30(32)39-34(43)45/h2-6,9,16-19,25-27H,7-8,10-15,20H2,1H3,(H,39,45)/b40-31+/t27-/m1/s1
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157n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116714
PNG
(CHEMBL76529 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(N)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H38Cl4N6O4/c1-3-43(34(47)23-16-24(36)19-25(37)17-23)20-30(41-49-2)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)45-32-7-5-4-6-31(32)44(35(45)48)21-33(40)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H2,40,46)/b41-30+/t27-/m1/s1
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167n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116738
PNG
(CHEMBL307877 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1
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176n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116724
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H34Cl4FN5O3/c1-46-40-30(20-42(15-11-38)32(44)22-16-23(34)19-24(35)17-22)26(21-6-7-27(36)28(37)18-21)10-14-41-12-8-25(9-13-41)43-31-5-3-2-4-29(31)39-33(43)45/h2-7,16-19,25-26H,8-15,20H2,1H3,(H,39,45)/b40-30+/t26-/m1/s1
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231n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116728
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](\C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C37H42Cl4N6O4/c1-4-42-35(48)23-46-33-8-6-7-9-34(33)47(37(46)50)28-12-15-44(16-13-28)17-14-29(24-10-11-30(40)31(41)20-24)32(43-51-3)22-45(5-2)36(49)25-18-26(38)21-27(39)19-25/h6-11,18-21,28-29H,4-5,12-17,22-23H2,1-3H3,(H,42,48)/b43-32+/t29-/m1/s1
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281n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116737
PNG
(CHEMBL312612 | [3-(1-{(R)-5-[(3,5-Dichloro-benzoyl...)
Show SMILES CO\N=C(/CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(O)=O)c1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H36Cl4FN5O5/c1-50-41-30(20-43(15-11-40)34(48)23-16-24(36)19-25(37)17-23)27(22-6-7-28(38)29(39)18-22)10-14-42-12-8-26(9-13-42)45-32-5-3-2-4-31(32)44(35(45)49)21-33(46)47/h2-7,16-19,26-27H,8-15,20-21H2,1H3,(H,46,47)/b41-30+/t27-/m1/s1
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304n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116746
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(Cc2ccccn2)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C39H40Cl4N6O3/c1-3-47(38(50)27-20-28(40)23-29(41)21-27)25-35(45-52-2)32(26-11-12-33(42)34(43)22-26)15-19-46-17-13-31(14-18-46)49-37-10-5-4-9-36(37)48(39(49)51)24-30-8-6-7-16-44-30/h4-12,16,20-23,31-32H,3,13-15,17-19,24-25H2,1-2H3/b45-35+/t32-/m1/s1
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312n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116741
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C36H41Cl4N5O4/c1-4-43(35(46)25-19-26(37)22-27(38)20-25)23-32(41-49-3)29(24-9-10-30(39)31(40)21-24)13-16-42-14-11-28(12-15-42)45-34-8-6-5-7-33(34)44(36(45)47)17-18-48-2/h5-10,19-22,28-29H,4,11-18,23H2,1-3H3/b41-32+/t29-/m1/s1
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572n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116734
PNG
(3,5-Dichloro-N-{(R)-5-[4-(3-cyanomethyl-2-oxo-2,3-...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC#N)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H36Cl4N6O3/c1-3-43(34(46)24-18-25(36)21-26(37)19-24)22-31(41-48-2)28(23-8-9-29(38)30(39)20-23)12-16-42-14-10-27(11-15-42)45-33-7-5-4-6-32(33)44(17-13-40)35(45)47/h4-9,18-21,27-28H,3,10-12,14-17,22H2,1-2H3/b41-31+/t28-/m1/s1
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674n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116743
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-(4-{...)
Show SMILES CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(=O)NCCOC)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C38H44Cl4N6O5/c1-4-46(37(50)26-19-27(39)22-28(40)20-26)23-33(44-53-3)30(25-9-10-31(41)32(42)21-25)13-17-45-15-11-29(12-16-45)48-35-8-6-5-7-34(35)47(38(48)51)24-36(49)43-14-18-52-2/h5-10,19-22,29-30H,4,11-18,23-24H2,1-3H3,(H,43,49)/b44-33+/t30-/m1/s1
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945n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%