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24 similar compounds to monomer 50262567

Compile data set for download or QSAR
Wt: 412.5
BDBM50000040
Purchase
Wt: 386.5
BDBM50000042
Wt: 426.5
BDBM50002651
Wt: 412.5
BDBM50002653
Wt: 426.5
BDBM50002654
Wt: 336.4
BDBM50002656
Wt: 412.5
BDBM50002657
Wt: 452.6
BDBM50030228
Wt: 438.6
BDBM50030230
Wt: 412.5
BDBM50030232
Wt: 438.6
BDBM50030236
Wt: 452.6
BDBM50030238
Wt: 452.6
BDBM50030241
Wt: 412.5
BDBM50280461
Wt: 336.4
BDBM50280463
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 50000040,50000042,50002651,50002653,50002654,50002656,50002657,50030228,50030230,50030232,50030236,50030238,50030241,50280461,50280463   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
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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0.550n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)


BindingDB Entry DOI: 10.7270/Q2KD1WF0
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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0.660n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]-BH-SP of the compound.


J Med Chem 35: 4911-3 (1993)


Article DOI: 10.1021/jm00104a018
BindingDB Entry DOI: 10.7270/Q2GF0SG7
More data for this
Ligand-Target Pair
Neurokinin 1 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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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]-BH-SP of the compound.


J Med Chem 35: 4911-3 (1993)


Article DOI: 10.1021/jm00104a018
BindingDB Entry DOI: 10.7270/Q2GF0SG7
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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3.10n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638)

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand


Bioorg Med Chem Lett 11: 659-61 (2001)


Article DOI: 10.1016/s0960-894x(01)00020-8
BindingDB Entry DOI: 10.7270/Q2CJ8CR0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
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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15.8n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)


BindingDB Entry DOI: 10.7270/Q2KD1WF0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000042
PNG
((2-Benzhydryl-piperidin-3-yl)-(2-methoxy-benzyl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H30N2O/c1-29-24-17-9-8-15-22(24)19-28-23-16-10-18-27-26(23)25(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,23,25-28H,10,16,18-19H2,1H3/t23-,26+/m0/s1
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49n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]-BH-SP of the compound.


J Med Chem 35: 4911-3 (1993)


Article DOI: 10.1021/jm00104a018
BindingDB Entry DOI: 10.7270/Q2GF0SG7
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)


BindingDB Entry DOI: 10.7270/Q2KD1WF0
More data for this
Ligand-Target Pair
Neuromedin-K 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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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Substance-K 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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>1.00E+4n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)


BindingDB Entry DOI: 10.7270/Q2KD1WF0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50280461
PNG
(((2R,3R)-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-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50280463
PNG
((2-Methoxy-benzyl)-((2R,3R)-2-phenethyl-1-aza-bicy...)
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-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002653
PNG
(((2R,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 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
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 383n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002653
PNG
(((2R,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 41n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50002654
PNG
((2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-eth...)
Show SMILES CCOc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-2-32-26-16-10-9-15-25(26)21-30-28-24-17-19-31(20-18-24)29(28)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,27-30H,2,17-21H2,1H3/t28-,29-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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>1.00E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-neurokinin binding to Tachykinin receptor 2 in hamster urinary bladder


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
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>1.00E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortex [125I]-BH-eledoisin as radioligand


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
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 487n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
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 343n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
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 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor


Bioorg Med Chem Lett 7: 2819-2824 (1997)


Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0
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 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina


Bioorg Med Chem Lett 6: 1623-1628 (1996)


Article DOI: 10.1016/0960-894X(96)00287-9
BindingDB Entry DOI: 10.7270/Q2N016GN
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
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>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex


Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
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 0.800n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
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 0.5n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance...


J Med Chem 38: 934-41 (1995)


Article DOI: 10.1021/jm00006a012
BindingDB Entry DOI: 10.7270/Q2R78D8F
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 22n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Gln165Ala mutant type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr...


J Med Chem 38: 934-41 (1995)


Article DOI: 10.1021/jm00006a012
BindingDB Entry DOI: 10.7270/Q2R78D8F
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
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 0.400n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
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/an/a 5.01E+4n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neurokinin A induced contraction of rabbit pulmonary artery (RPA) tissue expressing Tachykinin receptor 2


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
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 0.400n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned neurokinin 1 receptor, based on the displacement of [125I]-labeled substance P


J Med Chem 37: 1269-74 (1994)


Article DOI: 10.1021/jm00035a006
BindingDB Entry DOI: 10.7270/Q2S75FCC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030228
PNG
((S)-((S)-3-Benzhydryl-octahydro-2,5-methano-isoqui...)
Show SMILES COc1ccccc1CNC1C2C3CCCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N2O/c1-34-27-18-9-8-15-24(27)19-32-30-28-25-16-10-17-26(28)21-33(20-25)31(30)29(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,18,25-26,28-32H,10,16-17,19-21H2,1H3/t25?,26?,28?,30?,31-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand


J Med Chem 37: 2831-40 (1994)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030230
PNG
((S)-((S)-9-Benzhydryl-1-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COc1ccccc1CNC1C2C3CCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N2O/c1-33-26-15-9-8-14-23(26)18-31-29-27-24-16-17-25(27)20-32(19-24)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-25,27-31H,16-20H2,1H3/t24?,25?,27?,29?,30-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand


J Med Chem 37: 2831-40 (1994)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030232
PNG
((S)-((S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CNC1C2CCN(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 0.480n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand


J Med Chem 37: 2831-40 (1994)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030236
PNG
((S)-((S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COc1ccccc1CNC1C2CC3CCC(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 0.920n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand


J Med Chem 37: 2831-40 (1994)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030238
PNG
((S)-((S)-11-Benzhydryl-1-aza-tricyclo[5.4.0.0*3,9*...)
Show SMILES COc1ccccc1CNC1C2CC3CCCC2CN3[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 1.90n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand


J Med Chem 37: 2831-40 (1994)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030241
PNG
((S)-((S)-9-Benzhydryl-8-aza-tricyclo[5.3.1.0*3,8*]...)
Show SMILES COc1ccccc1CNC1C2CC3CCCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N2O/c1-34-28-18-9-8-15-24(28)21-32-30-25-19-26-16-10-17-27(20-25)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 4.10n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand


J Med Chem 37: 2831-40 (1994)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
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 0.450n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.


J Med Chem 38: 934-41 (1995)


Article DOI: 10.1021/jm00006a012
BindingDB Entry DOI: 10.7270/Q2R78D8F
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50280461
PNG
(((2R,3R)-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-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand


J Med Chem 35: 2591-600 (1992)


Article DOI: 10.1021/jm00092a009
BindingDB Entry DOI: 10.7270/Q2SJ1JJF
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 0.200n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Tested against cloned human NK1 receptor by displacement of 125 I -labeled substance P expressed in CHO cells


J Med Chem 36: 2044-5 (1993)


Article DOI: 10.1021/jm00066a015
BindingDB Entry DOI: 10.7270/Q2959GMD
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 0.400n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
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 32n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1 in rat brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Mus musculus)
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 24n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against NK-1 receptors in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
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 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
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 3.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding potency of the compound against SP receptor (from ref. 1)


Bioorg Med Chem Lett 1: 129-132 (1991)


Article DOI: 10.1016/S0960-894X(00)80246-2
BindingDB Entry DOI: 10.7270/Q28P60DN
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 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-SP in human IM-9 cells


Bioorg Med Chem Lett 3: 921-924 (1993)


Article DOI: 10.1016/S0960-894X(00)80693-9
BindingDB Entry DOI: 10.7270/Q2RV0NNF
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 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells


Bioorg Med Chem Lett 3: 1361-1366 (1993)


Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R
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 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [ 1251] Substance P from hNK1 receptor in CHO cells


Bioorg Med Chem Lett 4: 2545-2550 (1994)


Article DOI: 10.1016/S0960-894X(01)80280-8
BindingDB Entry DOI: 10.7270/Q2KH0N8H
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 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells


Bioorg Med Chem Lett 5: 599-604 (1995)


Article DOI: 10.1016/0960-894X(95)00080-D
BindingDB Entry DOI: 10.7270/Q2GH9HZ9
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 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells


Bioorg Med Chem Lett 3: 2707-2712 (1993)


Article DOI: 10.1016/S0960-894X(01)80747-2
BindingDB Entry DOI: 10.7270/Q23F4PKF
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 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for displacement of [3H]-Substance P (SP) in human IM-9 cells


Bioorg Med Chem Lett 4: 839-842 (1994)


Article DOI: 10.1016/S0960-894X(01)80859-3
BindingDB Entry DOI: 10.7270/Q2542NJB
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 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Tachykinin receptor 1 by the displacement of [125I]- Substance P in CHO Cells


Bioorg Med Chem Lett 4: 1917-1920 (1994)


Article DOI: 10.1016/S0960-894X(01)80534-5
BindingDB Entry DOI: 10.7270/Q2HT2P85
More data for this
Ligand-Target Pair
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