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PubMed code 7490729

Compile data set for download or QSAR
Found 62 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))		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 |wD:9.11,2.1,(8.36,4.94,;8.17,3.4,;6.82,2.63,;5.49,3.41,;6.26,2.08,;5.16,1,;5.49,.33,;4.18,1.09,;4.18,2.63,;6.82,1.09,;8.17,.32,;9.5,1.09,;9.5,2.63,;10.83,3.4,;12.16,2.63,;12.16,1.09,;10.83,.32,;8.15,-1.22,;6.82,-1.98,;6.82,-3.52,;8.15,-4.29,;9.5,-3.52,;9.48,-1.98,;9.78,5.52,;9.99,7.04,;11.41,7.61,;12.63,6.69,;12.44,5.17,;11.01,4.57,)|
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 0.0850n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
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 |wU:16.18,wD:9.8,(5.48,-3.03,;5.21,-1.43,;6.73,-.86,;6.44,-2.13,;3.88,-.68,;2.54,-1.45,;1.21,-.68,;-.13,-1.45,;-.13,-2.99,;-1.46,-3.76,;-2.8,-2.99,;-4.13,-3.74,;-4.15,-5.28,;-2.82,-6.05,;-2.54,-4.74,;-3.33,-3.97,;-1.46,-5.3,;-.13,-6.07,;1.2,-5.3,;1.2,-3.78,;2.53,-3.01,;3.86,-3.79,;3.86,-5.33,;2.53,-6.09,;-.14,-7.61,;-1.49,-8.36,;-1.49,-9.9,;-.16,-10.69,;1.17,-9.92,;1.17,-8.38,;1.21,.86,;2.54,1.65,;3.88,.88,;2.53,3.17,;3.76,4.2,;1.28,4.19,;2.53,4.59,)|
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 0.200n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
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 |wD:16.18,9.8,(12.7,-1.59,;11.46,-2.62,;10.22,-1.61,;11.46,-1.22,;11.48,-4.16,;10.15,-4.95,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;11.48,-11.88,;12.82,-11.11,;12.82,-9.57,;11.48,-8.8,;10.15,-9.57,;8.8,-13.42,;10.13,-14.17,;10.15,-15.71,;8.8,-16.48,;7.47,-15.71,;7.47,-14.17,;11.48,-7.26,;12.82,-6.49,;12.82,-4.93,;14.15,-7.26,;15.38,-7.94,;14.42,-8.84,;15.66,-6.67,)|
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 0.200n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029847
PNG
(2-Benzhydryl-3-(3-iodo-5-methyl-benzyloxy)-1-aza-b...)
Show SMILES Cc1cc(I)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)|
Show InChI InChI=1S/C28H30INO/c1-20-16-21(18-25(29)17-20)19-31-28-24-12-14-30(15-13-24)27(28)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,16-18,24,26-28H,12-15,19H2,1H3
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n/an/a 0.320n/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)


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 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)|
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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029871
PNG
(2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicy...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)|
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
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n/an/a 0.900n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029869
PNG
(2-Benzhydryl-3-(3-methyl-5-trimethylsilanyl-benzyl...)
Show SMILES Cc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)[Si](C)(C)C |(9.34,3.36,;9.34,1.83,;8.01,1.06,;8.01,-.5,;6.65,-1.28,;6.65,-2.83,;5.35,-3.64,;3.95,-2.9,;4.74,-4.05,;3.3,-4.93,;4.07,-6.03,;2.69,-5.29,;2.63,-3.72,;5.39,-5.21,;6.75,-5.93,;8.05,-5.11,;9.4,-5.83,;10.68,-5.02,;10.64,-3.49,;9.28,-2.77,;7.99,-3.55,;6.81,-7.46,;5.5,-8.25,;5.56,-9.79,;6.9,-10.51,;8.2,-9.69,;8.15,-8.17,;9.34,-1.28,;10.7,-.51,;10.7,1.04,;12.02,-1.28,;12.01,-2.82,;13.35,-.52,;10.94,-2.35,)|
Show InChI InChI=1S/C31H39NOSi/c1-23-19-24(21-28(20-23)34(2,3)4)22-33-31-27-15-17-32(18-16-27)30(31)29(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,19-21,27,29-31H,15-18,22H2,1-4H3
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n/an/a 0.900n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029871
PNG
(2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicy...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)|
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
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n/an/a 0.900n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029879
PNG
(2-Benzhydryl-3-(3-methoxy-5-methyl-benzyloxy)-1-az...)
Show SMILES COc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;11.58,-.05,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;11.59,-4.65,)|
Show InChI InChI=1S/C29H33NO2/c1-21-17-22(19-26(18-21)31-2)20-32-29-25-13-15-30(16-14-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,25,27-29H,13-16,20H2,1-2H3
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n/an/a 1.5n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029879
PNG
(2-Benzhydryl-3-(3-methoxy-5-methyl-benzyloxy)-1-az...)
Show SMILES COc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;11.58,-.05,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;11.59,-4.65,)|
Show InChI InChI=1S/C29H33NO2/c1-21-17-22(19-26(18-21)31-2)20-32-29-25-13-15-30(16-14-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,25,27-29H,13-16,20H2,1-2H3
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n/an/a 1.5n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029839
PNG
(2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |(11.57,1.33,;11.58,-.05,;12.81,.96,;10.35,.96,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;11.59,-4.65,;12.93,-3.87,;12.93,-2.33,;14.24,-4.64,;15.43,-5.33,;14.49,-6.19,;15.73,-4.08,)|
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
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n/an/a 1.60n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029839
PNG
(2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |(11.57,1.33,;11.58,-.05,;12.81,.96,;10.35,.96,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;11.59,-4.65,;12.93,-3.87,;12.93,-2.33,;14.24,-4.64,;15.43,-5.33,;14.49,-6.19,;15.73,-4.08,)|
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
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n/an/a 1.60n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029850
PNG
(3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-(1,2-diphe...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(Cc2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |(5.53,2.21,;5.53,.81,;6.77,1.82,;4.29,1.81,;5.55,-.73,;4.2,-1.5,;4.2,-3.06,;2.84,-3.85,;2.84,-5.41,;1.54,-6.22,;.15,-5.48,;-1.19,-6.3,;-1.13,-7.88,;.24,-8.63,;-.51,-7.51,;.92,-6.63,;1.59,-7.79,;2.95,-8.52,;4.25,-7.7,;5.6,-8.42,;5.65,-9.96,;7,-10.68,;8.31,-9.87,;8.26,-8.32,;6.9,-7.61,;2.99,-10.06,;4.34,-10.77,;4.41,-12.29,;3.1,-13.12,;1.73,-12.4,;1.69,-10.86,;5.55,-3.85,;6.91,-3.08,;6.91,-1.52,;8.24,-3.85,;9.45,-4.55,;8.49,-5.44,;9.74,-3.27,)|
Show InChI InChI=1S/C30H29F6NO/c31-29(32,33)24-15-21(16-25(18-24)30(34,35)36)19-38-28-23-11-13-37(14-12-23)27(28)26(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-10,15-16,18,23,26-28H,11-14,17,19H2
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n/an/a 3.90n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029876
PNG
(3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-(cyclohexy...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(C2CCCCC2)c2ccccc2)cc(c1)C(F)(F)F |(17.65,1.69,;16.33,.91,;14.99,1.67,;17.81,.53,;16.35,-.63,;15.01,-1.4,;15.01,-2.95,;13.65,-3.73,;13.65,-5.29,;12.35,-6.1,;10.96,-5.36,;11.73,-6.51,;10.3,-7.4,;11.05,-8.5,;9.68,-7.75,;9.63,-6.19,;12.4,-7.67,;13.75,-8.38,;15.06,-7.57,;14.99,-6.05,;16.3,-5.23,;17.65,-5.96,;17.7,-7.5,;16.4,-8.3,;13.8,-9.93,;12.5,-10.73,;12.54,-12.26,;13.91,-12.99,;15.21,-12.16,;15.15,-10.64,;16.35,-3.74,;17.71,-2.96,;17.71,-1.4,;19.03,-3.74,;19.01,-5.28,;20.36,-2.98,;17.94,-4.82,)|
Show InChI InChI=1S/C29H33F6NO/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/h1,3-4,7-8,15-17,21-22,25-27H,2,5-6,9-14,18H2
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n/an/a 7.5n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029875
PNG
(2-Benzhydryl-3-(3,5-dimethoxy-benzyloxy)-1-aza-bic...)
Show SMILES COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.26,-2.33,;11.58,-1.57,;11.59,-.05,;10.27,.7,;12.93,-2.33,)|
Show InChI InChI=1S/C29H33NO3/c1-31-25-17-21(18-26(19-25)32-2)20-33-29-24-13-15-30(16-14-24)28(29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,24,27-29H,13-16,20H2,1-2H3
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n/an/a 8.30n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029875
PNG
(2-Benzhydryl-3-(3,5-dimethoxy-benzyloxy)-1-aza-bic...)
Show SMILES COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.26,-2.33,;11.58,-1.57,;11.59,-.05,;10.27,.7,;12.93,-2.33,)|
Show InChI InChI=1S/C29H33NO3/c1-31-25-17-21(18-26(19-25)32-2)20-33-29-24-13-15-30(16-14-24)28(29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,24,27-29H,13-16,20H2,1-2H3
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n/an/a 8.30n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029845
PNG
(2-Benzhydryl-3-(3,5-dichloro-benzyloxy)-1-aza-bicy...)
Show SMILES Clc1cc(Cl)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;11.58,-.05,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;11.59,-4.65,)|
Show InChI InChI=1S/C27H27Cl2NO/c28-23-15-19(16-24(29)17-23)18-31-27-22-11-13-30(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
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n/an/a 9n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029845
PNG
(2-Benzhydryl-3-(3,5-dichloro-benzyloxy)-1-aza-bicy...)
Show SMILES Clc1cc(Cl)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;11.58,-.05,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;11.59,-4.65,)|
Show InChI InChI=1S/C27H27Cl2NO/c28-23-15-19(16-24(29)17-23)18-31-27-22-11-13-30(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
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n/an/a 9n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029872
PNG
(2-Benzhydryl-3-(3-methyl-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Cc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;10.26,-2.33,)|
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
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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029842
PNG
(2-Benzhydryl-3-(3,5-difluoro-benzyloxy)-1-aza-bicy...)
Show SMILES Fc1cc(F)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)|
Show InChI InChI=1S/C27H27F2NO/c28-23-15-19(16-24(29)17-23)18-31-27-22-11-13-30(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
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n/an/a 33n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029863
PNG
(2-Benzhydryl-3-(2,5-dimethyl-benzyloxy)-1-aza-bicy...)
Show SMILES Cc1ccc(C)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;10.26,-2.33,;8.95,-1.57,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;11.59,-4.65,)|
Show InChI InChI=1S/C29H33NO/c1-21-13-14-22(2)26(19-21)20-31-29-25-15-17-30(18-16-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,25,27-29H,15-18,20H2,1-2H3
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n/an/a 36n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029857
PNG
(2-Benzhydryl-3-(3-fluoro-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Fc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;10.26,-2.33,)|
Show InChI InChI=1S/C27H28FNO/c28-24-13-7-8-20(18-24)19-30-27-23-14-16-29(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2
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n/an/a 37n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029880
PNG
(2-Benzhydryl-3-(2-bromo-benzyloxy)-1-aza-bicyclo[2...)
Show SMILES Brc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(6.25,2.54,;7.59,1.77,;8.91,2.54,;10.25,1.77,;10.25,.23,;8.92,-.54,;7.58,.23,;6.25,-.54,;6.24,-2.08,;4.91,-2.85,;3.58,-2.06,;2.25,-2.85,;2.25,-4.39,;3.58,-5.14,;3.88,-4.18,;2.8,-3.39,;4.91,-4.39,;6.24,-5.16,;6.24,-6.7,;4.9,-7.45,;4.9,-8.99,;6.24,-9.76,;7.57,-8.99,;7.57,-7.45,;7.57,-4.39,;8.9,-5.16,;10.24,-4.39,;10.24,-2.85,;8.9,-2.08,;7.57,-2.85,)|
Show InChI InChI=1S/C27H28BrNO/c28-24-14-8-7-13-23(24)19-30-27-22-15-17-29(18-16-22)26(27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27H,15-19H2
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n/an/a 37n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029874
PNG
(2-Benzhydryl-3-(3-methoxy-benzyloxy)-1-aza-bicyclo...)
Show SMILES COc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(-4.51,-2.54,;-3.19,-3.29,;-3.19,-4.81,;-1.85,-5.57,;-1.85,-7.11,;-3.19,-7.89,;-4.52,-7.11,;-5.85,-7.87,;-5.85,-9.41,;-7.16,-10.19,;-8.54,-9.45,;-9.85,-10.26,;-9.81,-11.82,;-8.43,-12.56,;-9.19,-11.45,;-7.76,-10.58,;-7.12,-11.73,;-5.78,-12.44,;-5.78,-13.98,;-7.12,-14.74,;-7.12,-16.28,;-5.78,-17.06,;-4.45,-16.28,;-4.45,-14.74,;-4.45,-11.68,;-3.12,-12.44,;-1.79,-11.68,;-1.79,-10.14,;-3.12,-9.36,;-4.45,-10.14,;-4.52,-5.57,)|
Show InChI InChI=1S/C28H31NO2/c1-30-25-14-8-9-21(19-25)20-31-28-24-15-17-29(18-16-24)27(28)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,24,26-28H,15-18,20H2,1H3
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n/an/a 56n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029882
PNG
(2-Benzhydryl-3-(3-phenoxy-benzyloxy)-1-aza-bicyclo...)
Show SMILES C(OC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(Oc2ccccc2)c1 |(8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;7.01,-7.34,;5.59,-8.21,;6.34,-9.31,;4.97,-8.57,;4.93,-7.02,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.26,-3.87,;11.59,-4.65,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;11.58,-.05,;10.26,.7,;8.96,-.05,;7.65,.69,;7.64,2.22,;8.95,2.98,;10.27,2.22,;10.26,-2.33,)|
Show InChI InChI=1S/C33H33NO2/c1-4-12-26(13-5-1)31(27-14-6-2-7-15-27)32-33(28-19-21-34(32)22-20-28)35-24-25-11-10-18-30(23-25)36-29-16-8-3-9-17-29/h1-18,23,28,31-33H,19-22,24H2
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n/an/a 62n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029846
PNG
(2-Benzhydryl-3-(3-chloro-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Clc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;10.26,-2.33,)|
Show InChI InChI=1S/C27H28ClNO/c28-24-13-7-8-20(18-24)19-30-27-23-14-16-29(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2
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n/an/a 62n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029877
PNG
(2-Benzhydryl-3-(2-trifluoromethyl-benzyloxy)-1-aza...)
Show SMILES FC(F)(F)c1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(7.71,-.87,;8.93,-1.57,;8.67,.02,;7.42,-2.15,;10.26,-2.33,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;7.01,-7.34,;5.59,-8.21,;6.34,-9.31,;4.97,-8.57,;4.93,-7.02,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,)|
Show InChI InChI=1S/C28H28F3NO/c29-28(30,31)24-14-8-7-13-23(24)19-33-27-22-15-17-32(18-16-22)26(27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27H,15-19H2
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n/an/a 67n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029860
PNG
(2-Benzhydryl-3-(2-chloro-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Clc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(5.08,.68,;6.42,-.09,;7.73,.68,;9.09,-.09,;9.08,-1.63,;7.74,-2.4,;6.41,-1.62,;5.08,-2.39,;5.06,-3.93,;3.77,-4.7,;2.4,-3.96,;1.08,-4.78,;1.13,-6.33,;2.49,-7.06,;1.75,-5.96,;3.16,-5.1,;3.8,-6.24,;5.16,-6.95,;5.15,-8.49,;6.48,-9.26,;6.49,-10.8,;5.15,-11.57,;3.8,-10.8,;3.8,-9.26,;6.49,-6.19,;7.81,-6.95,;9.15,-6.19,;9.15,-4.65,;7.81,-3.87,;6.49,-4.65,)|
Show InChI InChI=1S/C27H28ClNO/c28-24-14-8-7-13-23(24)19-30-27-22-15-17-29(18-16-22)26(27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27H,15-19H2
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n/an/a 80n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029887
PNG
(2-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymet...)
Show SMILES N#Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(7.59,-.8,;8.93,-1.57,;10.26,-2.33,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;7.01,-7.34,;5.59,-8.21,;6.34,-9.31,;4.97,-8.57,;4.93,-7.02,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,)|
Show InChI InChI=1S/C28H28N2O/c29-19-24-13-7-8-14-25(24)20-31-28-23-15-17-30(18-16-23)27(28)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26-28H,15-18,20H2
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n/an/a 86n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029856
PNG
(2-Benzhydryl-3-(2-fluoro-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Fc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(5.08,.68,;6.42,-.09,;7.73,.68,;9.09,-.09,;9.08,-1.63,;7.74,-2.4,;6.41,-1.62,;5.08,-2.39,;5.06,-3.93,;3.77,-4.7,;2.4,-3.96,;1.08,-4.78,;1.13,-6.33,;2.49,-7.06,;1.75,-5.96,;3.16,-5.1,;3.8,-6.24,;5.16,-6.95,;5.15,-8.49,;6.48,-9.26,;6.49,-10.8,;5.15,-11.57,;3.8,-10.8,;3.8,-9.26,;6.49,-6.19,;7.81,-6.95,;9.15,-6.19,;9.15,-4.65,;7.81,-3.87,;6.49,-4.65,)|
Show InChI InChI=1S/C27H28FNO/c28-24-14-8-7-13-23(24)19-30-27-22-15-17-29(18-16-22)26(27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27H,15-19H2
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n/an/a 93n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029891
PNG
(2-Benzyl-3-(3,5-bis-trifluoromethyl-benzyloxy)-1-a...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2Cc2ccccc2)cc(c1)C(F)(F)F |(11.57,1.33,;11.58,-.05,;12.81,.96,;10.35,.96,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;11.59,-4.65,;12.93,-3.87,;12.93,-2.33,;14.24,-4.64,;15.43,-5.33,;14.49,-6.19,;15.73,-4.08,)|
Show InChI InChI=1S/C23H23F6NO/c24-22(25,26)18-10-16(11-19(13-18)23(27,28)29)14-31-21-17-6-8-30(9-7-17)20(21)12-15-4-2-1-3-5-15/h1-5,10-11,13,17,20-21H,6-9,12,14H2
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n/an/a 103n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029870
PNG
(2-Benzhydryl-3-(2,5-difluoro-benzyloxy)-1-aza-bicy...)
Show SMILES Fc1ccc(F)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;10.26,-2.33,;8.95,-1.57,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;11.59,-4.65,)|
Show InChI InChI=1S/C27H27F2NO/c28-23-11-12-24(29)22(17-23)18-31-27-21-13-15-30(16-14-21)26(27)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,25-27H,13-16,18H2
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n/an/a 106n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029865
PNG
(2-Benzyl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2Cc2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)|
Show InChI InChI=1S/C23H29NO/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/h3-7,12-14,21-23H,8-11,15-16H2,1-2H3
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n/an/a 107n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029864
PNG
(2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2.2]octan...)
Show SMILES C(OC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccccc1 |(6.25,-.54,;6.24,-2.08,;4.91,-2.85,;3.58,-2.06,;2.8,-3.39,;3.88,-4.18,;3.58,-5.14,;2.25,-4.39,;2.25,-2.85,;4.91,-4.39,;6.24,-5.16,;6.24,-6.7,;4.9,-7.45,;4.9,-8.99,;6.24,-9.76,;7.57,-8.99,;7.57,-7.45,;7.57,-4.39,;7.57,-2.85,;8.9,-2.08,;10.24,-2.85,;10.24,-4.39,;8.9,-5.16,;7.58,.23,;8.92,-.54,;10.25,.23,;10.25,1.77,;8.91,2.54,;7.59,1.77,)|
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
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50284614
PNG
(2-Benzylidene-3-(3,5-dimethyl-benzyloxy)-1-aza-bic...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)\C2=C\c2ccccc2)c1 |(14.15,-7.26,;12.82,-6.49,;12.82,-4.93,;11.48,-4.16,;11.46,-2.62,;10.15,-4.95,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;11.48,-7.26,)|
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+
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n/an/a 120n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029855
PNG
((2S,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 |wU:9.8,wD:16.18,(5.48,-3.03,;5.21,-1.43,;6.73,-.86,;6.44,-2.13,;3.88,-.68,;2.54,-1.45,;1.21,-.68,;-.13,-1.45,;-.13,-2.99,;-1.46,-3.76,;-2.8,-2.99,;-4.13,-3.74,;-4.15,-5.28,;-2.82,-6.05,;-2.54,-4.74,;-3.33,-3.97,;-1.46,-5.3,;-.13,-6.07,;1.2,-5.3,;1.2,-3.78,;2.53,-3.01,;3.86,-3.79,;3.86,-5.33,;2.53,-6.09,;-.14,-7.61,;-1.49,-8.36,;-1.49,-9.9,;-.16,-10.69,;1.17,-9.92,;1.17,-8.38,;1.21,.86,;2.54,1.65,;3.88,.88,;2.53,3.17,;3.76,4.2,;1.28,4.19,;2.53,4.59,)|
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 125n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029883
PNG
(3-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymet...)
Show SMILES N#Cc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,1.46,;11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)|
Show InChI InChI=1S/C28H28N2O/c29-19-21-8-7-9-22(18-21)20-31-28-25-14-16-30(17-15-25)27(28)26(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-13,18,25-28H,14-17,20H2
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n/an/a 127n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029853
PNG
(2-Benzhydryl-3-(2-methyl-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(8.93,-1.57,;10.26,-2.33,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,)|
Show InChI InChI=1S/C28H31NO/c1-21-10-8-9-15-25(21)20-30-28-24-16-18-29(19-17-24)27(28)26(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26-28H,16-20H2,1H3
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n/an/a 150n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029854
PNG
(2-Benzhydryl-3-(3,4-dimethyl-benzyloxy)-1-aza-bicy...)
Show SMILES Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1C |(14.24,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,;11.58,-1.57,;11.58,-.05,)|
Show InChI InChI=1S/C29H33NO/c1-21-13-14-23(19-22(21)2)20-31-29-26-15-17-30(18-16-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,19,26-29H,15-18,20H2,1-2H3
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n/an/a 172n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029873
PNG
(2-Benzhydryl-3-(3-nitro-benzyloxy)-1-aza-bicyclo[2...)
Show SMILES [O-][N+](=O)c1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(12.89,.7,;11.58,-.05,;10.26,.7,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;7.01,-7.34,;5.59,-8.21,;6.34,-9.31,;4.97,-8.57,;4.93,-7.02,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;10.26,-2.33,)|
Show InChI InChI=1S/C27H28N2O3/c30-29(31)24-13-7-8-20(18-24)19-32-27-23-14-16-28(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2
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n/an/a 197n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029844
PNG
(2-Benzhydryl-3-(4-methyl-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 |(14.24,-1.57,;12.93,-2.33,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;11.59,-4.65,;12.93,-3.87,)|
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
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n/an/a 246n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029867
PNG
(2-Benzhydryl-3-(4-fluoro-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Fc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 |(14.24,-1.57,;12.93,-2.33,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;11.59,-4.65,;12.93,-3.87,)|
Show InChI InChI=1S/C27H28FNO/c28-24-13-11-20(12-14-24)19-30-27-23-15-17-29(18-16-23)26(27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25-27H,15-19H2
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n/an/a 252n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029840
PNG
(2-Benzhydryl-3-(3-trifluoromethyl-benzyloxy)-1-aza...)
Show SMILES FC(F)(F)c1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.57,1.33,;11.58,-.05,;12.81,.96,;10.35,.96,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.26,-2.33,)|
Show InChI InChI=1S/C28H28F3NO/c29-28(30,31)24-13-7-8-20(18-24)19-33-27-23-14-16-32(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2
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n/an/a 300n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
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 |wU:16.18,9.8,(5.48,-3.03,;5.21,-1.43,;6.73,-.86,;6.44,-2.13,;3.88,-.68,;2.54,-1.45,;1.21,-.68,;-.13,-1.45,;-.13,-2.99,;-1.46,-3.76,;-2.8,-2.99,;-4.13,-3.74,;-4.15,-5.28,;-2.82,-6.05,;-2.54,-4.74,;-3.33,-3.97,;-1.46,-5.3,;-.13,-6.07,;1.2,-5.3,;1.2,-3.78,;2.53,-3.01,;3.86,-3.79,;3.86,-5.33,;2.53,-6.09,;-.14,-7.61,;-1.49,-8.36,;-1.49,-9.9,;-.16,-10.69,;1.17,-9.92,;1.17,-8.38,;1.21,.86,;2.54,1.65,;3.88,.88,;2.53,3.17,;3.76,4.2,;1.28,4.19,;2.53,4.59,)|
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 300n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029852
PNG
(3-(3,5-Dimethyl-benzyloxy)-2-(1,2-diphenyl-ethyl)-...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(Cc2ccccc2)c2ccccc2)c1 |(5.53,.81,;5.55,-.73,;6.91,-1.52,;6.91,-3.08,;8.24,-3.85,;5.55,-3.85,;4.2,-3.06,;2.84,-3.85,;2.84,-5.41,;1.54,-6.22,;.15,-5.48,;.92,-6.63,;-.51,-7.51,;.24,-8.63,;-1.13,-7.88,;-1.19,-6.3,;1.59,-7.79,;2.95,-8.52,;4.25,-7.7,;5.6,-8.42,;5.65,-9.96,;7,-10.68,;8.31,-9.87,;8.26,-8.32,;6.9,-7.61,;2.99,-10.06,;4.34,-10.77,;4.41,-12.29,;3.1,-13.12,;1.73,-12.4,;1.69,-10.86,;4.2,-1.5,)|
Show InChI InChI=1S/C30H35NO/c1-22-17-23(2)19-25(18-22)21-32-30-27-13-15-31(16-14-27)29(30)28(26-11-7-4-8-12-26)20-24-9-5-3-6-10-24/h3-12,17-19,27-30H,13-16,20-21H2,1-2H3
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n/an/a 353n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029852
PNG
(3-(3,5-Dimethyl-benzyloxy)-2-(1,2-diphenyl-ethyl)-...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(Cc2ccccc2)c2ccccc2)c1 |(5.53,.81,;5.55,-.73,;6.91,-1.52,;6.91,-3.08,;8.24,-3.85,;5.55,-3.85,;4.2,-3.06,;2.84,-3.85,;2.84,-5.41,;1.54,-6.22,;.15,-5.48,;.92,-6.63,;-.51,-7.51,;.24,-8.63,;-1.13,-7.88,;-1.19,-6.3,;1.59,-7.79,;2.95,-8.52,;4.25,-7.7,;5.6,-8.42,;5.65,-9.96,;7,-10.68,;8.31,-9.87,;8.26,-8.32,;6.9,-7.61,;2.99,-10.06,;4.34,-10.77,;4.41,-12.29,;3.1,-13.12,;1.73,-12.4,;1.69,-10.86,;4.2,-1.5,)|
Show InChI InChI=1S/C30H35NO/c1-22-17-23(2)19-25(18-22)21-32-30-27-13-15-31(16-14-27)29(30)28(26-11-7-4-8-12-26)20-24-9-5-3-6-10-24/h3-12,17-19,27-30H,13-16,20-21H2,1-2H3
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n/an/a 353n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029866
PNG
(2-Benzhydryl-3-(4-trifluoromethyl-benzyloxy)-1-aza...)
Show SMILES FC(F)(F)c1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 |(15.43,-.88,;14.24,-1.57,;15.73,-2.14,;14.49,-.01,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;7.01,-7.34,;5.59,-8.21,;6.34,-9.31,;4.97,-8.57,;4.93,-7.02,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.26,-2.33,;11.58,-1.57,)|
Show InChI InChI=1S/C28H28F3NO/c29-28(30,31)24-13-11-20(12-14-24)19-33-27-23-15-17-32(18-16-23)26(27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25-27H,15-19H2
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n/an/a 370n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029851
PNG
(2-Benzhydryl-3-(4-chloro-benzyloxy)-1-aza-bicyclo[...)
Show SMILES Clc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 |(14.24,-1.57,;12.93,-2.33,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;11.59,-4.65,;12.93,-3.87,)|
Show InChI InChI=1S/C27H28ClNO/c28-24-13-11-20(12-14-24)19-30-27-23-15-17-29(18-16-23)26(27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25-27H,15-19H2
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n/an/a 417n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029850
PNG
(3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-(1,2-diphe...)
Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(Cc2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |(5.53,2.21,;5.53,.81,;6.77,1.82,;4.29,1.81,;5.55,-.73,;4.2,-1.5,;4.2,-3.06,;2.84,-3.85,;2.84,-5.41,;1.54,-6.22,;.15,-5.48,;-1.19,-6.3,;-1.13,-7.88,;.24,-8.63,;-.51,-7.51,;.92,-6.63,;1.59,-7.79,;2.95,-8.52,;4.25,-7.7,;5.6,-8.42,;5.65,-9.96,;7,-10.68,;8.31,-9.87,;8.26,-8.32,;6.9,-7.61,;2.99,-10.06,;4.34,-10.77,;4.41,-12.29,;3.1,-13.12,;1.73,-12.4,;1.69,-10.86,;5.55,-3.85,;6.91,-3.08,;6.91,-1.52,;8.24,-3.85,;9.45,-4.55,;8.49,-5.44,;9.74,-3.27,)|
Show InChI InChI=1S/C30H29F6NO/c31-29(32,33)24-15-21(16-25(18-24)30(34,35)36)19-38-28-23-11-13-37(14-12-23)27(28)26(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-10,15-16,18,23,26-28H,11-14,17,19H2
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n/an/a 425n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029881
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES C(Cc1ccccc1)N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:16.19,9.9,(4.04,1.21,;4.98,2.42,;4.39,3.84,;2.87,4.04,;2.27,5.45,;3.2,6.69,;4.74,6.5,;5.33,5.06,;4.63,-.22,;3.3,-.99,;1.97,-.22,;1.19,-1.55,;2.52,-2.32,;1.97,-3.3,;.64,-2.53,;.64,-.99,;3.3,-2.53,;4.63,-3.3,;5.96,-2.53,;5.96,-1,;7.29,-.22,;8.63,-1,;8.63,-2.54,;7.29,-3.3,;4.63,-4.84,;5.96,-5.61,;5.96,-7.15,;4.63,-7.92,;3.29,-7.15,;3.29,-5.61,)|
Show InChI InChI=1S/C28H32N2/c1-4-10-22(11-5-1)16-19-29-27-25-17-20-30(21-18-25)28(27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-29H,16-21H2/t27-,28-/m0/s1
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n/an/a 700n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029849
PNG
(4-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymet...)
Show SMILES N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 |(15.55,-.81,;14.24,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,;11.58,-1.57,)|
Show InChI InChI=1S/C28H28N2O/c29-19-21-11-13-22(14-12-21)20-31-28-25-15-17-30(18-16-25)27(28)26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25-28H,15-18,20H2
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n/an/a 950n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029858
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Oc1ccccc1 |wD:3.2,10.12,(3.02,.84,;2.05,-.36,;2.6,-1.8,;1.27,-2.57,;-.06,-1.78,;-.84,-3.11,;.49,-3.88,;-.06,-4.86,;-1.39,-4.11,;-1.39,-2.57,;1.27,-4.11,;2.6,-4.88,;3.93,-4.11,;3.93,-2.57,;5.26,-1.8,;6.6,-2.57,;6.6,-4.11,;5.26,-4.88,;2.6,-6.42,;3.93,-7.17,;3.93,-8.71,;2.6,-9.48,;1.26,-8.71,;1.26,-7.17,;.52,-.12,;-.02,1.32,;-1.53,1.56,;-2.09,2.99,;-1.12,4.19,;.4,3.96,;.94,2.51,)|
Show InChI InChI=1S/C27H28N2O2/c30-27(31-23-14-8-3-9-15-23)28-25-22-16-18-29(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H,28,30)/t25-,26-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029848
PNG
(Benzoic acid (2S,3S)-2-benzhydryl-1-aza-bicyclo[2....)
Show SMILES O=C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:3.2,10.12,(4.53,2.33,;3.2,1.56,;3.18,.02,;1.85,-.75,;.52,.02,;-.81,-.75,;-.81,-2.29,;.52,-3.06,;1.07,-2.08,;-.26,-1.31,;1.85,-2.29,;3.18,-3.06,;4.51,-2.29,;4.51,-.75,;5.84,.02,;7.19,-.75,;7.19,-2.29,;5.84,-3.06,;3.18,-4.6,;4.51,-5.37,;4.51,-6.91,;3.18,-7.68,;1.84,-6.91,;1.84,-5.37,;1.85,2.33,;1.87,3.89,;.54,4.64,;-.79,3.89,;-.79,2.33,;.54,1.56,)|
Show InChI InChI=1S/C27H27NO2/c29-27(23-14-8-3-9-15-23)30-26-22-16-18-28(19-17-22)25(26)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2/t25-,26-/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029889
PNG
(CHEMBL281502 | N-((2S,3S)-2-Benzhydryl-1-aza-bicyc...)
Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:3.2,10.12,(5.99,.93,;4.66,.16,;4.65,-1.39,;3.3,-2.16,;1.97,-1.38,;.65,-2.16,;.65,-3.7,;1.97,-4.47,;2.53,-3.48,;1.2,-2.71,;3.3,-3.7,;4.65,-4.47,;5.99,-3.7,;5.99,-2.16,;7.32,-1.39,;8.66,-2.16,;8.66,-3.7,;7.32,-4.47,;4.64,-6.02,;5.97,-6.78,;5.99,-8.31,;4.64,-9.1,;3.3,-8.31,;3.3,-6.78,;3.32,.93,;3.33,2.48,;2,3.25,;.66,2.49,;.66,.94,;2,.16,)|
Show InChI InChI=1S/C27H28N2O/c30-27(23-14-8-3-9-15-23)28-25-22-16-18-29(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H,28,30)/t25-,26-/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029888
PNG
(CHEMBL29760 | Phenyl-carbamic acid (2S,3S)-2-benzh...)
Show SMILES O=C(Nc1ccccc1)O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:17.20,10.10,(4.53,1.1,;3.2,.34,;1.85,1.11,;1.87,2.65,;.54,3.42,;.54,4.96,;1.89,5.73,;3.22,4.95,;3.2,3.42,;3.18,-1.2,;1.85,-1.97,;.52,-1.2,;-.81,-1.97,;-.81,-3.51,;.52,-4.28,;1.07,-3.3,;-.26,-2.53,;1.85,-3.51,;3.18,-4.28,;3.18,-5.82,;1.84,-6.59,;1.84,-8.13,;3.18,-8.9,;4.51,-8.13,;4.51,-6.59,;4.51,-3.51,;4.51,-1.98,;5.84,-1.2,;7.19,-1.98,;7.19,-3.52,;5.84,-4.28,)|
Show InChI InChI=1S/C27H28N2O2/c30-27(28-23-14-8-3-9-15-23)31-26-22-16-18-29(19-17-22)25(26)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H,28,30)/t25-,26-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029868
PNG
(1-((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Nc1ccccc1 |wD:3.2,10.12,(3.09,1.89,;2.11,.69,;2.67,-.75,;1.33,-1.52,;,-.73,;-.79,-2.06,;.54,-2.83,;,-3.81,;-1.32,-3.06,;-1.32,-1.52,;1.33,-3.06,;2.67,-3.83,;4,-3.06,;4,-1.52,;5.33,-.75,;6.66,-1.52,;6.66,-3.06,;5.33,-3.83,;2.66,-5.37,;3.97,-6.12,;4,-7.66,;2.66,-8.43,;1.31,-7.66,;1.31,-6.12,;.59,.93,;.03,2.37,;-1.47,2.61,;-2.03,4.04,;-1.07,5.24,;.47,5.01,;1.01,3.56,)|
Show InChI InChI=1S/C27H29N3O/c31-27(28-23-14-8-3-9-15-23)29-25-22-16-18-30(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H2,28,29,31)/t25-,26-/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029890
PNG
(CHEMBL281703 | N-((2S,3S)-2-Benzhydryl-1-aza-bicyc...)
Show SMILES O=S(=O)(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:4.3,11.13,(.99,.88,;2.52,.63,;4.04,.79,;3.06,-.8,;1.73,-1.57,;.4,-.8,;-.93,-1.57,;-.93,-3.11,;.4,-3.88,;.96,-2.9,;-.37,-2.13,;1.73,-3.11,;3.06,-3.88,;4.39,-3.11,;4.39,-1.59,;5.72,-.8,;7.07,-1.59,;7.07,-3.13,;5.72,-3.88,;3.06,-5.42,;4.39,-6.19,;4.39,-7.73,;3.06,-8.5,;1.73,-7.73,;1.73,-6.19,;3.48,1.84,;5,1.58,;5.97,2.78,;5.42,4.22,;3.88,4.45,;2.92,3.26,)|
Show InChI InChI=1S/C26H28N2O2S/c29-31(30,23-14-8-3-9-15-23)27-25-22-16-18-28(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-27H,16-19H2/t25-,26-/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029861
PNG
(1-((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES S=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Nc1ccccc1 |wD:3.2,10.12,(3.48,1.84,;2.52,.63,;3.06,-.8,;1.73,-1.57,;.4,-.8,;-.37,-2.13,;.96,-2.9,;.4,-3.88,;-.93,-3.11,;-.93,-1.57,;1.73,-3.11,;3.06,-3.88,;4.39,-3.11,;4.39,-1.59,;5.72,-.8,;7.07,-1.59,;7.07,-3.13,;5.72,-3.88,;3.06,-5.42,;4.39,-6.19,;4.39,-7.73,;3.06,-8.5,;1.73,-7.73,;1.73,-6.19,;.99,.88,;.44,2.3,;-1.07,2.54,;-1.63,3.98,;-.65,5.18,;.87,4.94,;1.41,3.5,)|
Show InChI InChI=1S/C27H29N3S/c31-27(28-23-14-8-3-9-15-23)29-25-22-16-18-30(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H2,28,29,31)/t25-,26-/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029886
PNG
(2-Benzhydryl-3-(4-methoxy-benzyloxy)-1-aza-bicyclo...)
Show SMILES COc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1 |(7.13,-4.08,;5.82,-3.33,;4.51,-4.09,;4.51,-5.63,;3.18,-6.41,;1.85,-5.63,;.51,-6.39,;.51,-7.93,;-.8,-8.7,;-2.18,-7.96,;-3.49,-8.78,;-3.44,-10.33,;-2.06,-11.06,;-2.82,-9.98,;-1.39,-9.1,;-.75,-10.25,;.58,-10.96,;.58,-12.5,;-.75,-13.26,;-.75,-14.8,;.58,-15.57,;1.92,-14.8,;1.92,-13.26,;1.92,-10.19,;3.25,-10.96,;4.58,-10.21,;4.58,-8.67,;3.25,-7.88,;1.92,-8.67,;1.85,-4.09,;3.18,-3.33,)|
Show InChI InChI=1S/C28H31NO2/c1-30-25-14-12-21(13-15-25)20-31-28-24-16-18-29(19-17-24)27(28)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24,26-28H,16-20H2,1H3
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n/an/a 1.11E+3n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50029862
PNG
(2-Benzylidene-3-(3,5-dimethyl-benzyloxy)-1-aza-bic...)
Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)\C2=C/c2ccccc2)c1 |(8.06,-1.36,;8.06,-2.9,;9.4,-3.67,;9.4,-5.21,;10.74,-5.98,;8.06,-5.98,;6.73,-5.21,;5.4,-5.98,;5.4,-7.52,;4.07,-8.29,;2.74,-7.52,;1.41,-8.28,;1.38,-9.82,;2.73,-10.6,;2.19,-9.61,;3.36,-8.5,;4.07,-9.83,;5.4,-10.6,;5.4,-12.14,;6.73,-12.91,;6.73,-14.44,;5.4,-15.22,;4.06,-14.45,;4.07,-12.91,;6.73,-3.67,)|
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-
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n/an/a 2.93E+3n/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)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50029885
PNG
((3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7...)
Show SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1
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n/an/a 4.16E+3n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SP binding in rat brain membranes

J Med Chem 38: 4793-805 (1996)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50029859
PNG
(1-Ethyl-2-{(E)-3-[1-ethyl-3,3-dimethyl-1,3-dihydro...)
Show SMILES CCN1\C(=C\C=C\c2nc3nc4ccccc4nc3n2CC)C(C)(C)c2ccccc12
Show InChI InChI=1S/C26H27N5/c1-5-30-21-15-10-7-12-18(21)26(3,4)22(30)16-11-17-23-29-24-25(31(23)6-2)28-20-14-9-8-13-19(20)27-24/h7-17H,5-6H2,1-4H3/b17-11+,22-16+
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n/an/a 7.23E+3n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SP binding in rat brain membranes

J Med Chem 38: 4793-805 (1996)


BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%