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PubMed code 11714615

Compile data set for download or QSAR
Found 22 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-P receptor


(Homo sapiens (Human))		BDBM50106898
PNG
(CHEMBL317632 | N-Methyl-N-[(E)-(R)-1-(1-methyl-1H-...)
Show SMILES CN([C@H](Cc1cn(C)c2ccccc12)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H30F6N4O3/c1-39-17-19(23-7-3-4-9-25(23)39)15-22(10-11-26(41)38-24-8-5-6-12-37-27(24)42)40(2)28(43)18-13-20(29(31,32)33)16-21(14-18)30(34,35)36/h3-4,7,9-11,13-14,16-17,22,24H,5-6,8,12,15H2,1-2H3,(H,37,42)(H,38,41)/b11-10+/t22-,24+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106901
PNG
(CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...)
Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106899
PNG
(CHEMBL105600 | N-[(E)-(R)-3-(1-Carbamoyl-cyclohexy...)
Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1(CCCCC1)C(N)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H28ClF6N3O3/c1-38(24(40)18-14-19(27(30,31)32)16-20(15-18)28(33,34)35)22(13-17-5-7-21(29)8-6-17)9-10-23(39)37-26(25(36)41)11-3-2-4-12-26/h5-10,14-16,22H,2-4,11-13H2,1H3,(H2,36,41)(H,37,39)/b10-9+/t22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106900
PNG
(CHEMBL103979 | N-Methyl-N-[(E)-(R)-1-naphthalen-2-...)
Show SMILES CN([C@H](Cc1ccc2ccccc2c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H29F6N3O3/c1-40(29(43)22-16-23(30(32,33)34)18-24(17-22)31(35,36)37)25(15-19-9-10-20-6-2-3-7-21(20)14-19)11-12-27(41)39-26-8-4-5-13-38-28(26)42/h2-3,6-7,9-12,14,16-18,25-26H,4-5,8,13,15H2,1H3,(H,38,42)(H,39,41)/b12-11+/t25-,26+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106891
PNG
(3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...)
Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26Cl2F6N4O3/c1-37(24(41)16-11-17(25(29,30)31)13-18(12-16)26(32,33)34)38(14-15-5-6-19(27)20(28)10-15)9-7-22(39)36-21-4-2-3-8-35-23(21)40/h5-6,10-13,21H,2-4,7-9,14H2,1H3,(H,35,40)(H,36,39)/t21-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106896
PNG
(CHEMBL104708 | N-[(E)-(R)-1-(4,5-Dichloro-thiophen...)
Show SMILES CN([C@H](Cc1cc(Cl)c(Cl)s1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23Cl2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106892
PNG
(3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethy...)
Show SMILES CN([C@H](Cc1ccc(Cl)c(Cl)c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106891
PNG
(3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...)
Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26Cl2F6N4O3/c1-37(24(41)16-11-17(25(29,30)31)13-18(12-16)26(32,33)34)38(14-15-5-6-19(27)20(28)10-15)9-7-22(39)36-21-4-2-3-8-35-23(21)40/h5-6,10-13,21H,2-4,7-9,14H2,1H3,(H,35,40)(H,36,39)/t21-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106892
PNG
(3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethy...)
Show SMILES CN([C@H](Cc1ccc(Cl)c(Cl)c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106895
PNG
(3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N'-methyl-...)
Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H30F6N4O3/c1-39(28(43)22-15-23(29(31,32)33)17-24(16-22)30(34,35)36)40(18-19-9-10-20-6-2-3-7-21(20)14-19)13-11-26(41)38-25-8-4-5-12-37-27(25)42/h2-3,6-7,9-10,14-17,25H,4-5,8,11-13,18H2,1H3,(H,37,42)(H,38,41)/t25-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106897
PNG
(CHEMBL105009 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-cy...)
Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCCC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H29ClF6N2O2/c1-37(26(39)19-15-20(27(30,31)32)17-21(16-19)28(33,34)35)24(14-18-8-10-22(29)11-9-18)12-13-25(38)36-23-6-4-2-3-5-7-23/h8-13,15-17,23-24H,2-7,14H2,1H3,(H,36,38)/b13-12+/t24-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106896
PNG
(CHEMBL104708 | N-[(E)-(R)-1-(4,5-Dichloro-thiophen...)
Show SMILES CN([C@H](Cc1cc(Cl)c(Cl)s1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23Cl2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106893
PNG
(3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dib...)
Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24Br2F6N4O3S/c1-35(22(39)13-8-14(23(27,28)29)10-15(9-13)24(30,31)32)36(12-16-11-17(25)20(26)40-16)7-5-19(37)34-18-4-2-3-6-33-21(18)38/h8-11,18H,2-7,12H2,1H3,(H,33,38)(H,34,37)/t18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106893
PNG
(3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dib...)
Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24Br2F6N4O3S/c1-35(22(39)13-8-14(23(27,28)29)10-15(9-13)24(30,31)32)36(12-16-11-17(25)20(26)40-16)7-5-19(37)34-18-4-2-3-6-33-21(18)38/h8-11,18H,2-7,12H2,1H3,(H,33,38)(H,34,37)/t18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50106894
PNG
(CHEMBL102376 | N-[(E)-(R)-1-(4,5-Dibromo-thiophen-...)
Show SMILES CN([C@H](Cc1cc(Br)c(Br)s1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23Br2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]-Sar9-substance P as radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106901
PNG
(CHEMBL104954 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((...)
Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H26ClF6N3O3/c1-37(25(40)17-13-18(26(29,30)31)15-19(14-17)27(32,33)34)21(12-16-5-7-20(28)8-6-16)9-10-23(38)36-22-4-2-3-11-35-24(22)39/h5-10,13-15,21-22H,2-4,11-12H2,1H3,(H,35,39)(H,36,38)/b10-9+/t21-,22+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106898
PNG
(CHEMBL317632 | N-Methyl-N-[(E)-(R)-1-(1-methyl-1H-...)
Show SMILES CN([C@H](Cc1cn(C)c2ccccc12)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H30F6N4O3/c1-39-17-19(23-7-3-4-9-25(23)39)15-22(10-11-26(41)38-24-8-5-6-12-37-27(24)42)40(2)28(43)18-13-20(29(31,32)33)16-21(14-18)30(34,35)36/h3-4,7,9-11,13-14,16-17,22,24H,5-6,8,12,15H2,1-2H3,(H,37,42)(H,38,41)/b11-10+/t22-,24+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106894
PNG
(CHEMBL102376 | N-[(E)-(R)-1-(4,5-Dibromo-thiophen-...)
Show SMILES CN([C@H](Cc1cc(Br)c(Br)s1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23Br2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106895
PNG
(3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N'-methyl-...)
Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H30F6N4O3/c1-39(28(43)22-15-23(29(31,32)33)17-24(16-22)30(34,35)36)40(18-19-9-10-20-6-2-3-7-21(20)14-19)13-11-26(41)38-25-8-4-5-12-37-27(25)42/h2-3,6-7,9-10,14-17,25H,4-5,8,11-13,18H2,1H3,(H,37,42)(H,38,41)/t25-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106900
PNG
(CHEMBL103979 | N-Methyl-N-[(E)-(R)-1-naphthalen-2-...)
Show SMILES CN([C@H](Cc1ccc2ccccc2c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H29F6N3O3/c1-40(29(43)22-16-23(30(32,33)34)18-24(17-22)31(35,36)37)25(15-19-9-10-20-6-2-3-7-21(20)14-19)11-12-27(41)39-26-8-4-5-13-38-28(26)42/h2-3,6-7,9-12,14,16-18,25-26H,4-5,8,13,15H2,1H3,(H,38,42)(H,39,41)/b12-11+/t25-,26+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106899
PNG
(CHEMBL105600 | N-[(E)-(R)-3-(1-Carbamoyl-cyclohexy...)
Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1(CCCCC1)C(N)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H28ClF6N3O3/c1-38(24(40)18-14-19(27(30,31)32)16-20(15-18)28(33,34)35)22(13-17-5-7-21(29)8-6-17)9-10-23(39)37-26(25(36)41)11-3-2-4-12-26/h5-10,14-16,22H,2-4,11-13H2,1H3,(H2,36,41)(H,37,39)/b10-9+/t22-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50106897
PNG
(CHEMBL105009 | N-[(E)-(R)-1-(4-Chloro-benzyl)-3-cy...)
Show SMILES CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCCC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H29ClF6N2O2/c1-37(26(39)19-15-20(27(30,31)32)17-21(16-19)28(33,34)35)24(14-18-8-10-22(29)11-9-18)12-13-25(38)36-23-6-4-2-3-5-7-23/h8-13,15-17,23-24H,2-7,14H2,1H3,(H,36,38)/b13-12+/t24-/m0/s1
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n/an/a 203n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand

Bioorg Med Chem Lett 11: 3081-4 (2001)


BindingDB Entry DOI: 10.7270/Q2V40THD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%