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PubMed code 9733486

Compile data set for download or QSAR
Found 91 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))
BDBM50052278
PNG
(5-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F6N4O2/c24-22(25,26)16-9-14(10-17(11-16)23(27,28)29)13-35-18-7-4-8-33(12-19-30-21(34)32-31-19)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,30,31,32,34)/t18-,20-/m0/s1
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PubMed
n/an/a 0.100n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Substance-P receptor


(Homo sapiens (Human))
BDBM50030435
PNG
(CHEMBL420543 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...)
Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCOCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F6N3O3/c30-28(31,32)21-14-19(15-22(17-21)29(33,34)35)7-8-26(39)25(16-20-18-36-24-5-2-1-4-23(20)24)37-27(40)6-3-9-38-10-12-41-13-11-38/h1-2,4-5,14-15,17-18,25,36H,3,6-13,16H2,(H,37,40)/t25-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052280
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F6N4O/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)13-34-19-7-4-8-33(12-20-30-14-31-32-20)21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19,21H,4,7-8,12-13H2,(H,30,31,32)/t19-,21-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408455
PNG
(CHEMBL120523)
Show SMILES COc1ccccc1CN1CCN2CCC[C@H]1[C@@H]2c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-24-20-12-6-5-10-18(20)16-23-15-14-22-13-7-11-19(23)21(22)17-8-3-2-4-9-17/h2-6,8-10,12,19,21H,7,11,13-16H2,1H3/t19-,21-/m0/s1
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n/an/a 0.363n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408474
PNG
(CHEMBL333882)
Show SMILES CN(Cc1ccccc1)C(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C30H30F6N2O2/c1-37(18-21-9-4-2-5-10-21)27(39)19-38-14-8-13-26(28(38)23-11-6-3-7-12-23)40-20-22-15-24(29(31,32)33)17-25(16-22)30(34,35)36/h2-7,9-12,15-17,26,28H,8,13-14,18-20H2,1H3/t26-,28-/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052276
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F6N3O/c25-23(26,27)18-11-16(12-19(13-18)24(28,29)30)15-34-20-7-4-10-33(14-21-31-8-9-32-21)22(20)17-5-2-1-3-6-17/h1-3,5-6,8-9,11-13,20,22H,4,7,10,14-15H2,(H,31,32)/t20-,22-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50093095
PNG
(2-[(S)-1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)...)
Show SMILES NC(=O)CN[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24F6N2O2/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-36-16-22(34-14-23(33)35)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22,24,34H,14-16H2,(H2,33,35)/t22-/m1/s1
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n/an/a 0.525n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030434
PNG
(5-Dimethylamino-pentanoic acid [(S)-4-(3,5-bis-tri...)
Show SMILES CN(C)CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H31F6N3O2/c1-37(2)12-6-5-9-26(39)36-24(15-19-17-35-23-8-4-3-7-22(19)23)25(38)11-10-18-13-20(27(29,30)31)16-21(14-18)28(32,33)34/h3-4,7-8,13-14,16-17,24,35H,5-6,9-12,15H2,1-2H3,(H,36,39)/t24-/m0/s1
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n/an/a 0.603n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408458
PNG
(CHEMBL340559)
Show SMILES COc1ccccc1CN1CN2CCC[C@H]1[C@@H]2c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-23-19-12-6-5-10-17(19)14-22-15-21-13-7-11-18(22)20(21)16-8-3-2-4-9-16/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3/t18-,20-/m0/s1
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n/an/a 0.617n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 0.676n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029878
PNG
((2R,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27+/m1/s1
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n/an/a 0.708n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052275
PNG
(5-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3n[nH]c(=S)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F6N4OS/c24-22(25,26)16-9-14(10-17(11-16)23(27,28)29)13-34-18-7-4-8-33(12-19-30-21(35)32-31-19)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,30,31,32,35)/t18-,20-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408473
PNG
(CHEMBL433020)
Show SMILES COc1ccccc1CN[C@H]1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N2O/c1-33-27-15-9-8-14-23(27)20-31-29-24-18-25-16-17-26(19-24)32(25)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-26,28-31H,16-20H2,1H3/t24?,25?,26?,29-,30-/m0/s1
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n/an/a 0.912n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50034271
PNG
(4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2
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n/an/a 0.955n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067971
PNG
(2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phen...)
Show SMILES FC(F)(F)c1cc(COCC2(CCCCN2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(8-4-5-9-28-19)16-6-2-1-3-7-16/h1-3,6-7,10-12,28H,4-5,8-9,13-14H2
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n/an/a 1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049468
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/s2
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n/an/a 1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052282
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3cnc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F6N3O/c25-23(26,27)18-9-16(10-19(11-18)24(28,29)30)14-34-21-7-4-8-33(13-20-12-31-15-32-20)22(21)17-5-2-1-3-6-17/h1-3,5-6,9-12,15,21-22H,4,7-8,13-14H2,(H,31,32)/t21-,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052274
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-ox...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3cocn3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F6N2O2/c25-23(26,27)18-9-16(10-19(11-18)24(28,29)30)13-34-21-7-4-8-32(12-20-14-33-15-31-20)22(21)17-5-2-1-3-6-17/h1-3,5-6,9-11,14-15,21-22H,4,7-8,12-13H2/t21-,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052281
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-[1...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnco3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F6N3O2/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)13-33-19-7-4-8-32(12-20-31-30-14-34-20)21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19,21H,4,7-8,12-13H2/t19-,21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408461
PNG
(CHEMBL330888 | MEN-10930)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)C1(CCCCC1)NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C37H38N4O3/c1-41(25-26-12-4-2-5-13-26)35(43)33(23-27-18-19-28-14-6-7-15-29(28)22-27)39-36(44)37(20-10-3-11-21-37)40-34(42)31-24-38-32-17-9-8-16-30(31)32/h2,4-9,12-19,22,24,33,38H,3,10-11,20-21,23,25H2,1H3,(H,39,44)(H,40,42)/t33-/m0/s1
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n/an/a 1.26n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052283
PNG
(2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)
Show SMILES NC(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C22H22F6N2O2/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-32-18-7-4-8-30(12-19(29)31)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,29,31)/t18-,20-/m0/s1
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n/an/a 1.29n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408457
PNG
(CHEMBL331059)
Show SMILES COc1ccccc1CN[C@H]1C2CC3CCCC2CN3[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N2O/c1-34-28-18-9-8-15-24(28)20-32-30-27-19-26-17-10-16-25(27)21-33(26)31(30)29(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,18,25-27,29-32H,10,16-17,19-21H2,1H3/t25?,26?,27?,30-,31-/m0/s1
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n/an/a 1.91n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030333
PNG
((3S,6S,7S)-3-(2-Methoxy-phenyl)-7-phenyl-1,8-diaza...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)NC1
Show InChI InChI=1S/C22H28N2O/c1-25-20-11-6-5-10-19(20)18-12-14-22(24-16-18)13-7-15-23-21(22)17-8-3-2-4-9-17/h2-6,8-11,18,21,23-24H,7,12-16H2,1H3/t18-,21+,22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408466
PNG
(CHEMBL121742 | L-709232)
Show SMILES FC(F)(F)c1cc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F6N2/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-36-26-22-11-13-37(14-12-22)27(26)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27,36H,11-14,18H2/t26-,27-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408459
PNG
(CHEMBL122119 | L-732106)
Show SMILES CN(C)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25F6NO/c1-33(2)23(24(19-9-5-3-6-10-19)20-11-7-4-8-12-20)17-34-16-18-13-21(25(27,28)29)15-22(14-18)26(30,31)32/h3-15,23-24H,16-17H2,1-2H3/t23-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50225898
PNG
((2-Methoxy-benzyl)-((2S,3S,3aR,6aS)-2-phenyl-octah...)
Show SMILES COc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2N[C@H]1c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-24-19-13-6-5-10-16(19)14-22-21-17-11-7-12-18(17)23-20(21)15-8-3-2-4-9-15/h2-6,8-10,13,17-18,20-23H,7,11-12,14H2,1H3/t17-,18+,20+,21+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030442
PNG
(CHEMBL120781 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H20F6N2O2/c1-13(32)31-20(10-15-12-30-19-5-3-2-4-18(15)19)21(33)7-6-14-8-16(22(24,25)26)11-17(9-14)23(27,28)29/h2-5,8-9,11-12,20,30H,6-7,10H2,1H3,(H,31,32)/t20-/m0/s1
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n/an/a 3.09n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM21016
PNG
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/s2
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n/an/a 3.24n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408475
PNG
(CHEMBL121459 | MEN-10914)
Show SMILES CN([C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12)C(=O)Cc1ccccc1
Show InChI InChI=1S/C37H38N4O3/c1-41(35(42)23-25-11-3-2-4-12-25)34(22-26-19-20-27-13-5-6-14-28(27)21-26)40-36(43)30-16-8-10-18-33(30)39-37(44)31-24-38-32-17-9-7-15-29(31)32/h2-7,9,11-15,17,19-21,24,30,33-34,38H,8,10,16,18,22-23H2,1H3,(H,39,44)(H,40,43)/t30-,33+,34-/m1/s1
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n/an/a 5.01n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50282925
PNG
(CHEMBL56427 | [(S)-1-(3,5-Dimethyl-benzyloxymethyl...)
Show SMILES CN(C)[C@H](COCc1cc(C)cc(C)c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H31NO/c1-20-15-21(2)17-22(16-20)18-28-19-25(27(3)4)26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-17,25-26H,18-19H2,1-4H3/t25-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002651
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN(C)[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-30(21-25-15-9-10-16-26(25)32-2)28-24-17-19-31(20-18-24)29(28)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,27-29H,17-21H2,1-2H3/t28-,29-/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50034272
PNG
(4-(3,5-Dimethyl-benzyloxymethyl)-4-phenyl-piperidi...)
Show SMILES Cc1cc(C)cc(COCC2(CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C21H27NO/c1-17-12-18(2)14-19(13-17)15-23-16-21(8-10-22-11-9-21)20-6-4-3-5-7-20/h3-7,12-14,22H,8-11,15-16H2,1-2H3
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n/an/a 8.91n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284130
PNG
(CHEMBL122580 | [(2S,3S)-2-(3-Chloro-phenyl)-1-aza-...)
Show SMILES COc1ccc(CN[C@H]2C3CCN(CC3)[C@H]2c2cccc(Cl)c2)c(OC)c1
Show InChI InChI=1S/C22H27ClN2O2/c1-26-19-7-6-17(20(13-19)27-2)14-24-21-15-8-10-25(11-9-15)22(21)16-4-3-5-18(23)12-16/h3-7,12-13,15,21-22,24H,8-11,14H2,1-2H3/t21-,22-/m0/s1
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n/an/a 9.12n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408456
PNG
(CHEMBL334072)
Show SMILES N[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2/t21-/m1/s1
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n/an/a 10.7n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408467
PNG
(CHEMBL121094 | MEN-10725)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C37H38N4O3/c1-41(24-25-11-3-2-4-12-25)37(44)34(22-26-19-20-27-13-5-6-14-28(27)21-26)40-35(42)30-16-8-10-18-33(30)39-36(43)31-23-38-32-17-9-7-15-29(31)32/h2-7,9,11-15,17,19-21,23,30,33-34,38H,8,10,16,18,22,24H2,1H3,(H,39,43)(H,40,42)/t30-,33+,34+/m1/s1
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PubMed
n/an/a 12.6n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408471
PNG
(CGP-47899 | CHEMBL121852)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-22-17-23(2)19-26(18-22)29(32)31-16-14-27(30-15-13-24-9-5-3-6-10-24)21-28(31)20-25-11-7-4-8-12-25/h3-12,17-19,27-28,30H,13-16,20-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 15.1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030131
PNG
((S)-2-Acetylamino-3-benzo[b]thiophen-3-yl-propioni...)
Show SMILES CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6NO3S/c1-12(30)29-18(8-14-11-33-19-5-3-2-4-17(14)19)20(31)32-10-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9,11,18H,8,10H2,1H3,(H,29,30)/t18-/m0/s1
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n/an/a 15.1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002655
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES CCc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2/c1-2-22-11-9-10-16-26(22)21-30-28-25-17-19-31(20-18-25)29(28)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,25,27-30H,2,17-21H2,1H3/t28-,29-/m0/s1
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n/an/a 16.6n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408446
PNG
(CHEMBL331926 | MEN-11091)
Show SMILES CN([C@H](Cc1ccc2ccccc2c1)NC(=O)C1(CCCCC1)NC(=O)c1c[nH]c2ccccc12)C(=O)Cc1ccccc1
Show InChI InChI=1S/C37H38N4O3/c1-41(34(42)24-26-12-4-2-5-13-26)33(23-27-18-19-28-14-6-7-15-29(28)22-27)39-36(44)37(20-10-3-11-21-37)40-35(43)31-25-38-32-17-9-8-16-30(31)32/h2,4-9,12-19,22,25,33,38H,3,10-11,20-21,23-24H2,1H3,(H,39,44)(H,40,43)/t33-/m1/s1
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n/an/a 19.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408465
PNG
(CHEMBL120546)
Show SMILES FC(F)(F)c1cc(COCC2(CCCNC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1/C21H21F6NO/c22-20(23,24)17-9-15(10-18(11-17)21(25,26)27)12-29-14-19(7-4-8-28-13-19)16-5-2-1-3-6-16/h1-3,5-6,9-11,28H,4,7-8,12-14H2
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n/an/a 19.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002659
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H32N2O/c1-31-25-14-8-9-21(19-25)20-29-27-24-15-17-30(18-16-24)28(27)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,24,26-29H,15-18,20H2,1H3/t27-,28-/m0/s1
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n/an/a 19.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281980
PNG
((2S,3S)-2-Benzhydryl-3-(3-methyl-benzyloxy)-1-aza-...)
Show SMILES Cc1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H31NO/c1-21-9-8-10-22(19-21)20-30-28-25-15-17-29(18-16-25)27(28)26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-14,19,25-28H,15-18,20H2,1H3/t27-,28-/m0/s1
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n/an/a 20.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030127
PNG
((S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic aci...)
Show SMILES Cc1cc(C)cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H26N2O3/c1-18-12-19(2)14-20(13-18)17-32-27(31)25(29-26(30)21-8-4-3-5-9-21)15-22-16-28-24-11-7-6-10-23(22)24/h3-14,16,25,28H,15,17H2,1-2H3,(H,29,30)/t25-/m0/s1
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n/an/a 21.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284050
PNG
((S)-2-(2-Methoxy-phenyl)-1-((R)-1-oxo-4,4-diphenyl...)
Show SMILES COc1ccccc1[C@H](C)C(=O)N1CC2[C@@H](C1)C(CCS2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO3S/c1-21(24-15-9-10-16-26(24)33-2)28(31)30-19-25-27(20-30)34(32)18-17-29(25,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,21,25,27H,17-20H2,1-2H3/t21-,25+,27?,34?/m0/s1
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n/an/a 22.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408469
PNG
(CHEMBL118565)
Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@H]1CCN([C@H](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H28Cl2N2O2/c1-18-10-19(2)12-21(11-18)27(33)31-25-8-9-32(26(17-25)13-20-6-4-3-5-7-20)28(34)22-14-23(29)16-24(30)15-22/h3-7,10-12,14-16,25-26H,8-9,13,17H2,1-2H3,(H,31,33)/t25-,26+/m0/s1
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n/an/a 25.7n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50033817
PNG
(3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H14F6N2O3/c22-20(23,24)13-5-11(6-14(8-13)21(25,26)27)10-29-18(30)17(32-19(29)31)7-12-9-28-16-4-2-1-3-15(12)16/h1-6,8-9,28,30H,7,10H2
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n/an/a 25.7n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002660
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26-,27-/m0/s1
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n/an/a 28.8n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408447
PNG
(CHEMBL120190)
Show SMILES C[C@@H]([C@@H]1C[C@H](CCN1C(=O)c1cc(C)cc(C)c1)NCc1ccnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C32H35N3O/c1-22-17-23(2)19-27(18-22)32(36)35-16-14-28(20-31(35)24(3)25-9-5-4-6-10-25)34-21-26-13-15-33-30-12-8-7-11-29(26)30/h4-13,15,17-19,24,28,31,34H,14,16,20-21H2,1-3H3/t24-,28+,31+/m1/s1
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n/an/a 30.2n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052277
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-fu...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccco3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H23F6NO2/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)16-34-22-9-4-10-32(15-21-8-5-11-33-21)23(22)18-6-2-1-3-7-18/h1-3,5-8,11-14,22-23H,4,9-10,15-16H2/t22-,23-/m0/s1
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n/an/a 39.8n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052279
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnn[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H21F6N5O/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-34-18-7-4-8-33(12-19-29-31-32-30-19)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H,29,30,31,32)/t18-,20-/m0/s1
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n/an/a 39.8n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030133
PNG
((S)-2-Acetylamino-3-(1H-indol-3-yl)-propionic acid...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C)cc(C)c1
Show InChI InChI=1S/C22H24N2O3/c1-14-8-15(2)10-17(9-14)13-27-22(26)21(24-16(3)25)11-18-12-23-20-7-5-4-6-19(18)20/h4-10,12,21,23H,11,13H2,1-3H3,(H,24,25)/t21-/m0/s1
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n/an/a 52.5n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50034273
PNG
(4-Phenyl-4-(3-trifluoromethyl-benzyloxymethyl)-pip...)
Show SMILES FC(F)(F)c1cccc(COCC2(CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17/h1-8,13,24H,9-12,14-15H2
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n/an/a 57.5n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408470
PNG
(CHEMBL420876)
Show SMILES C(N[C@H]1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H32N2/c1-4-10-21(11-5-1)20-30-28-24-18-25-16-17-26(19-24)31(25)29(28)27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24?,25?,26?,28-,29-/m0/s1
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n/an/a 67.6n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002661
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES CNc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33N3/c1-29-25-15-9-8-14-24(25)20-30-27-23-16-18-31(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-30H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 67.6n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281978
PNG
((2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2...)
Show SMILES C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29NO/c1-4-10-21(11-5-1)20-29-27-24-16-18-28(19-17-24)26(27)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t26-,27-/m0/s1
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n/an/a 75.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408452
PNG
(CHEMBL120286)
Show SMILES N[C@H](COCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22ClNO/c23-20-13-7-8-17(14-20)15-25-16-21(24)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21-22H,15-16,24H2/t21-/m1/s1
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n/an/a 75.9n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408454
PNG
(CHEMBL121480)
Show SMILES Cc1cc(C)cc(COC[C@@H](Nc2ccccc2)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H31NO/c1-23-18-24(2)20-25(19-23)21-32-22-29(31-28-16-10-5-11-17-28)30(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-20,29-31H,21-22H2,1-2H3/t29-/m1/s1
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n/an/a 81.3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408472
PNG
(CHEMBL413108 | MEN-10711)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C33H36N4O3/c1-37(22-24-14-6-3-7-15-24)33(40)30(20-23-12-4-2-5-13-23)36-31(38)26-17-9-11-19-29(26)35-32(39)27-21-34-28-18-10-8-16-25(27)28/h2-8,10,12-16,18,21,26,29-30,34H,9,11,17,19-20,22H2,1H3,(H,35,39)(H,36,38)/t26-,29+,30+/m1/s1
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n/an/a 126n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408444
PNG
(CHEMBL331392)
Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)\C2=C\c2ccccc2)c1
Show InChI InChI=1S/C23H27NO/c1-17-12-18(2)14-20(13-17)16-25-23-21-8-10-24(11-9-21)22(23)15-19-6-4-3-5-7-19/h3-7,12-15,21,23H,8-11,16H2,1-2H3/b22-15+/t23-/m0/s1
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n/an/a 129n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408463
PNG
(CHEMBL333566)
Show SMILES C(N[C@H]1C2CC3CCCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N2/c1-4-11-22(12-5-1)21-31-29-25-19-26-17-10-18-27(20-25)32(26)30(29)28(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25-31H,10,17-21H2/t25?,26?,27?,29-,30-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029884
PNG
((2S,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029884
PNG
((2S,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284133
PNG
((2-Chloro-benzyl)-[(2S,3S)-2-(3-chloro-phenyl)-1-a...)
Show SMILES Clc1cccc(c1)[C@H]1[C@@H](NCc2ccccc2Cl)C2CCN1CC2
Show InChI InChI=1S/C20H22Cl2N2/c21-17-6-3-5-15(12-17)20-19(14-8-10-24(20)11-9-14)23-13-16-4-1-2-7-18(16)22/h1-7,12,14,19-20,23H,8-11,13H2/t19-,20-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408448
PNG
(CHEMBL332106)
Show SMILES C(N[C@H]1C2C3CCCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N2/c1-4-11-22(12-5-1)19-31-29-27-25-17-10-18-26(27)21-32(20-25)30(29)28(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25-31H,10,17-21H2/t25?,26?,27?,29-,30-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002656
PNG
(((2S,3S)-2-Benzyl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-25-21-10-6-5-9-19(21)16-23-22-18-11-13-24(14-12-18)20(22)15-17-7-3-2-4-8-17/h2-10,18,20,22-23H,11-16H2,1H3/t20-,22-/m0/s1
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n/an/a 234n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281981
PNG
((2S,3S)-2-Benzhydryl-3-(4-methyl-benzyloxy)-1-aza-...)
Show SMILES Cc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H31NO/c1-21-12-14-22(15-13-21)20-30-28-25-16-18-29(19-17-25)27(28)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-28H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 288n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281976
PNG
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)
Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1
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n/an/a 295n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281976
PNG
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)
Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1
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n/an/a 295n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50288571
PNG
(CHEMBL101420 | {(2R,4S)-2-Cyclohexylmethyl-4-[(qui...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1CC1CCCCC1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H39N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h6-7,10-12,14,16-18,24,27-28,33H,3-5,8-9,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
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n/an/a 309n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408451
PNG
(CHEMBL332139 | MEN-10937)
Show SMILES O=C(Cc1ccccc1)N[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C36H36N4O3/c41-34(22-24-10-2-1-3-11-24)39-33(21-25-18-19-26-12-4-5-13-27(26)20-25)40-35(42)29-15-7-9-17-32(29)38-36(43)30-23-37-31-16-8-6-14-28(30)31/h1-6,8,10-14,16,18-20,23,29,32-33,37H,7,9,15,17,21-22H2,(H,38,43)(H,39,41)(H,40,42)/t29-,32+,33+/m1/s1
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n/an/a 316n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002657
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-14-12-21(13-15-25)20-29-27-24-16-18-30(19-17-24)28(27)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 347n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408445
PNG
(CHEMBL334189)
Show SMILES N[C@H](COCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23NO/c23-21(17-24-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17,23H2/t21-/m1/s1
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n/an/a 363n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030117
PNG
((S)-2-Dimethylamino-3-(1H-indol-3-yl)-propionic ac...)
Show SMILES CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C)cc(C)c1
Show InChI InChI=1S/C22H26N2O2/c1-15-9-16(2)11-17(10-15)14-26-22(25)21(24(3)4)12-18-13-23-20-8-6-5-7-19(18)20/h5-11,13,21,23H,12,14H2,1-4H3/t21-/m0/s1
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PubMed
n/an/a 550n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029843
PNG
((2R,3R)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...)
Show SMILES FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27-/m1/s1
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PubMed
n/an/a 575n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50034274
PNG
(4-Benzyloxymethyl-4-phenyl-piperidine | CHEMBL2268...)
Show SMILES C(OCC1(CCNCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-7-17(8-4-1)15-21-16-19(11-13-20-14-12-19)18-9-5-2-6-10-18/h1-10,20H,11-16H2
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408449
PNG
(CHEMBL540060 | MEN-11354)
Show SMILES CN(C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12)Cc1ccccc1
Show InChI InChI=1/C37H40N4O2/c1-41(24-26-11-3-2-4-12-26)25-30(22-27-19-20-28-13-5-6-14-29(28)21-27)39-36(42)32-16-8-10-18-35(32)40-37(43)33-23-38-34-17-9-7-15-31(33)34/h2-7,9,11-15,17,19-21,23,30,32,35,38H,8,10,16,18,22,24-25H2,1H3,(H,39,42)(H,40,43)/t30-,32+,35-/s2
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n/an/a 1.26E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50287401
PNG
(CHEMBL297134 | {(2R,4S)-2-Benzyl-4-[(quinolin-4-yl...)
Show SMILES Clc1ccc(cc1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C29H28ClN3O/c30-24-12-10-22(11-13-24)29(34)33-17-15-25(19-26(33)18-21-6-2-1-3-7-21)32-20-23-14-16-31-28-9-5-4-8-27(23)28/h1-14,16,25-26,32H,15,17-20H2/t25-,26+/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50287419
PNG
(CHEMBL289573 | {(2R,4S)-2-Benzyl-4-[(quinolin-4-yl...)
Show SMILES O=C(N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H29N3O/c33-29(23-11-5-2-6-12-23)32-18-16-25(20-26(32)19-22-9-3-1-4-10-22)31-21-24-15-17-30-28-14-8-7-13-27(24)28/h1-15,17,25-26,31H,16,18-21H2/t25-,26+/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284132
PNG
((2-Methoxy-benzyl)-[(2S,3R)-2-(3-methoxy-phenyl)-1...)
Show SMILES COc1cccc(c1)[C@H]1[C@H](NCc2ccccc2OC)C2CCN1CC2
Show InChI InChI=1S/C22H28N2O2/c1-25-19-8-5-7-17(14-19)22-21(16-10-12-24(22)13-11-16)23-15-18-6-3-4-9-20(18)26-2/h3-9,14,16,21-23H,10-13,15H2,1-2H3/t21-,22+/m1/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030436
PNG
(CHEMBL332796 | N-[(S)-1-(3,5-Dimethyl-benzylcarbam...)
Show SMILES Cc1cc(C)cc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H27N3O2/c1-18-12-19(2)14-20(13-18)16-29-27(32)25(30-26(31)21-8-4-3-5-9-21)15-22-17-28-24-11-7-6-10-23(22)24/h3-14,17,25,28H,15-16H2,1-2H3,(H,29,32)(H,30,31)/t25-/m0/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408462
PNG
(CHEMBL331925 | MEN-11260)
Show SMILES O=C(NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)c1nnnn1Cc1ccccc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C36H35N7O2/c44-34(30-23-37-31-16-8-7-15-29(30)31)39-36(19-9-2-10-20-36)35(45)38-32(22-26-17-18-27-13-5-6-14-28(27)21-26)33-40-41-42-43(33)24-25-11-3-1-4-12-25/h1,3-8,11-18,21,23,32,37H,2,9-10,19-20,22,24H2,(H,38,45)(H,39,44)/t32-/m0/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002652
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES Clc1ccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C27H29ClN2/c28-24-13-11-20(12-14-24)19-29-26-23-15-17-30(18-16-23)27(26)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25-27,29H,15-19H2/t26-,27-/m0/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408468
PNG
(CHEMBL120441 | MEN-10720)
Show SMILES O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C32H34N4O3/c37-30(25-16-8-10-18-28(25)35-31(38)26-21-33-27-17-9-7-15-24(26)27)36-29(19-22-11-3-1-4-12-22)32(39)34-20-23-13-5-2-6-14-23/h1-7,9,11-15,17,21,25,28-29,33H,8,10,16,18-20H2,(H,34,39)(H,35,38)(H,36,37)/t25-,28+,29+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408443
PNG
(CHEMBL120589)
Show SMILES Cc1cc(C)cc(COC[C@@H](N)Cc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H25NO/c1-16-9-17(2)11-19(10-16)14-24-15-22(23)13-18-7-8-20-5-3-4-6-21(20)12-18/h3-12,22H,13-15,23H2,1-2H3/t22-/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408464
PNG
(CHEMBL332843)
Show SMILES Cc1cc(C)cc(COC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C20H24N2O/c1-14-7-15(2)9-16(8-14)12-23-13-18(21)10-17-11-22-20-6-4-3-5-19(17)20/h3-9,11,18,22H,10,12-13,21H2,1-2H3/t18-/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50288572
PNG
((3,5-Dimethyl-phenyl)-{(2S,4S)-2-phenyl-4-[(quinol...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1c1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C30H31N3O/c1-21-16-22(2)18-25(17-21)30(34)33-15-13-26(19-29(33)23-8-4-3-5-9-23)32-20-24-12-14-31-28-11-7-6-10-27(24)28/h3-12,14,16-18,26,29,32H,13,15,19-20H2,1-2H3/t26-,29-/m0/s1
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n/an/a 2.69E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50033818
PNG
(5-(1H-Indol-3-ylmethyl)-3-(3-trifluoromethyl-benzy...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(8-14)11-25-18(26)17(28-19(25)27)9-13-10-24-16-7-2-1-6-15(13)16/h1-8,10,24,26H,9,11H2
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n/an/a 2.69E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50033820
PNG
(3-Benzyl-5-(1H-indol-3-ylmethyl)-oxazolidine-2,4-d...)
Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H16N2O3/c22-18-17(10-14-11-20-16-9-5-4-8-15(14)16)24-19(23)21(18)12-13-6-2-1-3-7-13/h1-9,11,20,22H,10,12H2
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n/an/a 6.03E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408460
PNG
(CHEMBL120038)
Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)\C2=C/c2ccccc2)c1
Show InChI InChI=1S/C23H27NO/c1-17-12-18(2)14-20(13-17)16-25-23-21-8-10-24(11-9-21)22(23)15-19-6-4-3-5-7-19/h3-7,12-15,21,23H,8-11,16H2,1-2H3/b22-15-/t23-/m0/s1
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n/an/a 8.13E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030331
PNG
((2S,5R,6S)-2-(2-Methoxy-phenyl)-6-phenyl-1,7-diaza...)
Show SMILES COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)N1
Show InChI InChI=1S/C21H26N2O/c1-24-19-11-6-5-10-17(19)18-12-14-21(23-18)13-7-15-22-20(21)16-8-3-2-4-9-16/h2-6,8-11,18,20,22-23H,7,12-15H2,1H3/t18-,20-,21+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%