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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'pericot mohr' and Initial = 'g'   
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))		BDBM50140783
PNG
(2-Hydroxymethyl-4-phenyl-quinoline-3-carboxylic ac...)
Show SMILES OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H18F6N2O2/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)13-33-24(36)23-21(14-35)34-20-9-5-4-8-19(20)22(23)16-6-2-1-3-7-16/h1-12,35H,13-14H2,(H,33,36)
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n/an/a 0.000100n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140770
PNG
(2-Aminomethyl-4-phenyl-quinoline-3-carboxylic acid...)
Show SMILES NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H19F6N3O/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)14-34-24(36)23-21(13-33)35-20-9-5-4-8-19(20)22(23)16-6-2-1-3-7-16/h1-12H,13-14,33H2,(H,34,36)
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n/an/a 0.00170n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140773
PNG
(2-Bromomethyl-4-phenyl-quinoline-3-carboxylic acid...)
Show SMILES FC(F)(F)c1cc(CNC(=O)c2c(CBr)nc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H17BrF6N2O/c27-13-21-23(22(16-6-2-1-3-7-16)19-8-4-5-9-20(19)35-21)24(36)34-14-15-10-17(25(28,29)30)12-18(11-15)26(31,32)33/h1-12H,13-14H2,(H,34,36)
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n/an/a 0.0100n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140785
PNG
(2-Methylaminomethyl-4-phenyl-quinoline-3-carboxyli...)
Show SMILES CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21F6N3O/c1-34-15-22-24(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)36-22)25(37)35-14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h2-13,34H,14-15H2,1H3,(H,35,37)
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n/an/a 0.0110n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140786
PNG
(4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trif...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C26H18F6N2O/c1-34(15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(35)21-14-33-22-10-6-5-9-20(22)23(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
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n/an/a 0.0300n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140772
PNG
(2-Methyl-4-phenyl-quinoline-3-carboxylic acid 3,5-...)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H18F6N2O/c1-15-22(23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)34-15)24(35)33-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h2-13H,14H2,1H3,(H,33,35)
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n/an/a 0.0750n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50418331
PNG
(SPERGUALIN)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1
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n/an/a 0.0794n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human NK1 receptor

Bioorg Med Chem 19: 2242-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.031
BindingDB Entry DOI: 10.7270/Q2QJ7J8H
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140774
PNG
(2-Dimethylaminomethyl-4-phenyl-quinoline-3-carboxy...)
Show SMILES CN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H23F6N3O/c1-37(2)16-23-25(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)36-23)26(38)35-15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34/h3-14H,15-16H2,1-2H3,(H,35,38)
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n/an/a 0.220n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50009718
PNG
(2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50131724
PNG
(3-Chloromethyl-4-phenyl-quinoline-2-carboxylic aci...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CCl
Show InChI InChI=1S/C25H21ClN2O/c1-28(17-18-10-4-2-5-11-18)25(29)24-21(16-26)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)27-24/h2-15H,16-17H2,1H3
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n/an/a 0.450n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50009712
PNG
(5,7-Dimethyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bip...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H25N7/c1-4-7-22-27-23-16(2)14-17(3)26-25(23)32(22)15-18-10-12-19(13-11-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,28,29,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50009719
PNG
(7-Methyl-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-3-6-21-26-22-16(2)13-14-25-24(22)31(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,27,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins

Bioorg Med Chem 19: 2242-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.031
BindingDB Entry DOI: 10.7270/Q2QJ7J8H
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140771
PNG
(((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES Ic1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |r,wU:9.9,16.19,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(23.35,-28.77,;24.59,-29.47,;25.82,-28.74,;27.08,-29.44,;27.09,-30.88,;25.86,-31.6,;24.61,-30.89,;23.38,-31.62,;23.39,-33.05,;22.16,-33.77,;20.81,-33.16,;19.33,-33.8,;19.53,-35.19,;21.07,-34.54,;21.32,-32.62,;20.87,-31.51,;22.44,-35.17,;23.21,-36.5,;24.75,-36.5,;25.52,-37.85,;27.07,-37.85,;27.84,-36.5,;27.07,-35.16,;25.52,-35.17,;22.43,-37.84,;20.88,-37.84,;20.11,-39.17,;20.88,-40.52,;22.44,-40.51,;23.21,-39.17,)|
Show InChI InChI=1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50049186
PNG
((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50131729
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(11.02,-3.02,;11.02,-1.48,;12.35,-.71,;13.68,-1.47,;15,-.68,;16.34,-1.45,;16.36,-2.99,;15.03,-3.76,;13.68,-3.01,;9.68,-.72,;9.67,.82,;8.35,-1.5,;7.01,-.73,;5.69,-1.52,;4.35,-.75,;3.02,-1.52,;3.02,-3.06,;4.35,-3.83,;5.69,-3.06,;7.03,-3.83,;8.36,-3.04,;9.69,-3.81,;7.03,-5.35,;5.69,-6.12,;5.69,-7.66,;7.03,-8.43,;8.36,-7.65,;8.36,-6.12,;9.69,-5.34,)|
Show InChI InChI=1S/C25H21FN2O/c1-17-23(19-12-6-8-14-21(19)26)20-13-7-9-15-22(20)27-24(17)25(29)28(2)16-18-10-4-3-5-11-18/h3-15H,16H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140776
PNG
(2-Methyl-4-phenyl-quinoline-3-carboxylic acid (3,5...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C27H20F6N2O/c1-16-23(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)34-16)25(36)35(2)15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33/h3-14H,15H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50145972
PNG
(2-Amino-4-[4-(5,7-dimethyl-2-propyl-imidazo[4,5-b]...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(N)nc2ccccc12
Show InChI InChI=1S/C28H27N5O2/c1-4-7-22-32-25-16(2)14-17(3)30-27(25)33(22)15-18-10-12-19(13-11-18)23-20-8-5-6-9-21(20)31-26(29)24(23)28(34)35/h5-6,8-14H,4,7,15H2,1-3H3,(H2,29,31)(H,34,35)
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n/an/a 3.30n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Antagonist activity against AT1 receptor assessed as inhibition of Ang2-induced rabit aortic strip contraction

J Med Chem 49: 6451-64 (2006)


Article DOI: 10.1021/jm0603163
BindingDB Entry DOI: 10.7270/Q2WW7H9J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145961
PNG
(7-Methyl-2-propyl-3-{4-[3-(2H-tetrazol-5-yl)-pyrid...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccncc1-c1nnn[nH]1
Show InChI InChI=1S/C23H22N8/c1-3-4-20-26-21-15(2)9-12-25-23(21)31(20)14-16-5-7-17(8-6-16)18-10-11-24-13-19(18)22-27-29-30-28-22/h5-13H,3-4,14H2,1-2H3,(H,27,28,29,30)
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n/an/a 4n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145972
PNG
(2-Amino-4-[4-(5,7-dimethyl-2-propyl-imidazo[4,5-b]...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(N)nc2ccccc12
Show InChI InChI=1S/C28H27N5O2/c1-4-7-22-32-25-16(2)14-17(3)30-27(25)33(22)15-18-10-12-19(13-11-18)23-20-8-5-6-9-21(20)31-26(29)24(23)28(34)35/h5-6,8-14H,4,7,15H2,1-3H3,(H2,29,31)(H,34,35)
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n/an/a 4.20n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50059749
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-18-23(20-13-7-4-8-14-20)21-15-9-10-16-22(21)26-24(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3
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n/an/a 4.60n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50197079
PNG
(1,2-dihydro-4-[4-[(5,7-dimethyl-2-ethyl-3H-imidazo...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)n(C)c(=O)c2ccccc12
Show InChI InChI=1S/C28H26N4O3/c1-5-22-30-24-16(2)14-17(3)29-26(24)32(22)15-18-10-12-19(13-11-18)23-20-8-6-7-9-21(20)27(33)31(4)25(23)28(34)35/h6-14H,5,15H2,1-4H3,(H,34,35)
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n/an/a 4.60n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Antagonist activity against AT1 receptor assessed as inhibition of Ang2-induced rabit aortic strip contraction

J Med Chem 49: 6451-64 (2006)


Article DOI: 10.1021/jm0603163
BindingDB Entry DOI: 10.7270/Q2WW7H9J
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50342013
PNG
(CHEMBL1765500 | N-[3,5-Bis(trifluoromethyl)benzyl]...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc(cc1-c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C28H28F6N4O/c1-18-25(23(20-7-5-4-6-8-20)16-24(35-18)38-11-9-36(2)10-12-38)26(39)37(3)17-19-13-21(27(29,30)31)15-22(14-19)28(32,33)34/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins

Bioorg Med Chem 19: 2242-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.031
BindingDB Entry DOI: 10.7270/Q2QJ7J8H
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50046078
PNG
(5-[4'-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-biph...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C24H29N7/c1-3-5-11-22-25-23(12-6-4-2)31(28-22)17-18-13-15-19(16-14-18)20-9-7-8-10-21(20)24-26-29-30-27-24/h7-10,13-16H,3-6,11-12,17H2,1-2H3,(H,26,27,29,30)
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n/an/a 5.60n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 6.70n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145967
PNG
(2-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-5-[2-(1H...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(cn2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-18-14-13-17(15-24-18)19-9-7-8-10-20(19)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
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n/an/a 6.80n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50049209
PNG
(5-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-2-[2-(1H...)
Show SMILES CCCCc1nc(CCCC)n(Cc2ccc(nc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
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n/an/a 6.90n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145979
PNG
(4-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyrid...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(cnc2ccccc12)-c1nnn[nH]1
Show InChI InChI=1S/C27H24N8/c1-4-23-30-25-16(2)13-17(3)29-27(25)35(23)15-18-9-11-19(12-10-18)24-20-7-5-6-8-22(20)28-14-21(24)26-31-33-34-32-26/h5-14H,4,15H2,1-3H3,(H,31,32,33,34)
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n/an/a 6.90n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145977
PNG
(2-Chloro-4-[4-(5,7-dimethyl-2-propyl-imidazo[4,5-b...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(Cl)nc2ccccc12
Show InChI InChI=1S/C28H25ClN4O2/c1-4-7-22-32-25-16(2)14-17(3)30-27(25)33(22)15-18-10-12-19(13-11-18)23-20-8-5-6-9-21(20)31-26(29)24(23)28(34)35/h5-6,8-14H,4,7,15H2,1-3H3,(H,34,35)
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n/an/a 7.70n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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n/an/a 8.40n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))		BDBM50131721
PNG
(3-Hydroxymethyl-4-phenyl-quinoline-2-carboxylic ac...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CO
Show InChI InChI=1S/C25H22N2O2/c1-27(16-18-10-4-2-5-11-18)25(29)24-21(17-28)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)26-24/h2-15,28H,16-17H2,1H3
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n/an/a 8.70n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50145979
PNG
(4-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyrid...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(cnc2ccccc12)-c1nnn[nH]1
Show InChI InChI=1S/C27H24N8/c1-4-23-30-25-16(2)13-17(3)29-27(25)35(23)15-18-9-11-19(12-10-18)24-20-7-5-6-8-22(20)28-14-21(24)26-31-33-34-32-26/h5-14H,4,15H2,1-3H3,(H,31,32,33,34)
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n/an/a 8.90n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Antagonist activity against AT1 receptor assessed as inhibition of Ang2-induced rabit aortic strip contraction

J Med Chem 49: 6451-64 (2006)


Article DOI: 10.1021/jm0603163
BindingDB Entry DOI: 10.7270/Q2WW7H9J
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140788
PNG
(2-Aminomethyl-4-phenyl-quinoline-3-carboxylic acid...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(CN)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C27H21F6N3O/c1-36(15-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33)25(37)24-22(14-34)35-21-10-6-5-9-20(21)23(24)17-7-3-2-4-8-17/h2-13H,14-15,34H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145981
PNG
(4-(4-((5,7-dimethyl-2-propyl-3H-imidazo[4,5-b]pyri...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(C)nc2ccccc12
Show InChI InChI=1S/C29H28N4O2/c1-5-8-24-32-27-17(2)15-18(3)30-28(27)33(24)16-20-11-13-21(14-12-20)26-22-9-6-7-10-23(22)31-19(4)25(26)29(34)35/h6-7,9-15H,5,8,16H2,1-4H3,(H,34,35)
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n/an/a 9n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50131727
PNG
(3-Methyl-4-phenyl-naphthalene-2-carboxylic acid be...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C26H23NO/c1-19-24(26(28)27(2)18-20-11-5-3-6-12-20)17-22-15-9-10-16-23(22)25(19)21-13-7-4-8-14-21/h3-17H,18H2,1-2H3
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n/an/a 9.80n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Antagonist activity against AT1 receptor assessed as inhibition of Ang2-induced rabit aortic strip contraction

J Med Chem 49: 6451-64 (2006)


Article DOI: 10.1021/jm0603163
BindingDB Entry DOI: 10.7270/Q2WW7H9J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145987
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C24H23N3O2/c1-4-21-26-22-15(2)13-16(3)25-23(22)27(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)24(28)29/h5-13H,4,14H2,1-3H3,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145973
PNG
(4-[4-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(cnc2ccccc12)C(O)=O
Show InChI InChI=1S/C28H26N4O2/c1-4-7-24-31-26-17(2)14-18(3)30-27(26)32(24)16-19-10-12-20(13-11-19)25-21-8-5-6-9-23(21)29-15-22(25)28(33)34/h5-6,8-15H,4,7,16H2,1-3H3,(H,33,34)
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n/an/a 11n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50131730
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid dibe...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H26N2O/c1-23-29(26-17-9-4-10-18-26)27-19-11-12-20-28(27)32-30(23)31(34)33(21-24-13-5-2-6-14-24)22-25-15-7-3-8-16-25/h2-20H,21-22H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140774
PNG
(2-Dimethylaminomethyl-4-phenyl-quinoline-3-carboxy...)
Show SMILES CN(C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H23F6N3O/c1-37(2)16-23-25(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)36-23)26(38)35-15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34/h3-14H,15-16H2,1-2H3,(H,35,38)
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n/an/a 11n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of labeled SP total binding against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells by the second binding component

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50140781
PNG
(2-Methoxymethyl-4-phenyl-quinoline-3-carboxylic ac...)
Show SMILES COCc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H22F6N2O2/c1-36(15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34)26(37)25-23(16-38-2)35-22-11-7-6-10-21(22)24(25)18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand

J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50131726
PNG
(3-Diethylaminomethyl-4-phenyl-quinoline-2-carboxyl...)
Show SMILES CCN(CC)Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C29H31N3O/c1-4-32(5-2)21-25-27(23-16-10-7-11-17-23)24-18-12-13-19-26(24)30-28(25)29(33)31(3)20-22-14-8-6-9-15-22/h6-19H,4-5,20-21H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145986
PNG
(4-[4-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(cnc2ccccc12)-c1nnn[nH]1
Show InChI InChI=1S/C28H26N8/c1-4-7-24-31-26-17(2)14-18(3)30-28(26)36(24)16-19-10-12-20(13-11-19)25-21-8-5-6-9-23(21)29-15-22(25)27-32-34-35-33-27/h5-6,8-15H,4,7,16H2,1-3H3,(H,32,33,34,35)
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n/an/a 12n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50418331
PNG
(SPERGUALIN)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C31H24ClF6N3O2/c32-22-7-5-18(6-8-22)13-24-17-23(40-28(42)26-9-11-39-27-4-2-1-3-25(26)27)10-12-41(24)29(43)19-14-20(30(33,34)35)16-21(15-19)31(36,37)38/h1-9,11,14-16,23-24H,10,12-13,17H2,(H,40,42)/t23-,24+/m0/s1
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n/an/a 12.6n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to gerbil NK1 receptor

Bioorg Med Chem 19: 2242-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.031
BindingDB Entry DOI: 10.7270/Q2QJ7J8H
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50131728
PNG
(3-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...)
Show SMILES CCN(Cc1ccccc1)Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C34H33N3O/c1-3-37(24-27-17-9-5-10-18-27)25-30-32(28-19-11-6-12-20-28)29-21-13-14-22-31(29)35-33(30)34(38)36(2)23-26-15-7-4-8-16-26/h4-22H,3,23-25H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50145981
PNG
(4-(4-((5,7-dimethyl-2-propyl-3H-imidazo[4,5-b]pyri...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(C)nc2ccccc12
Show InChI InChI=1S/C29H28N4O2/c1-5-8-24-32-27-17(2)15-18(3)30-28(27)33(24)16-20-11-13-21(14-12-20)26-22-9-6-7-10-23(22)31-19(4)25(26)29(34)35/h6-7,9-15H,5,8,16H2,1-4H3,(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Antagonist activity against AT1 receptor assessed as inhibition of Ang2-induced rabit aortic strip contraction

J Med Chem 49: 6451-64 (2006)


Article DOI: 10.1021/jm0603163
BindingDB Entry DOI: 10.7270/Q2WW7H9J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145971
PNG
(2-Amino-4-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]p...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(N)nc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-4-21-31-24-15(2)13-16(3)29-26(24)32(21)14-17-9-11-18(12-10-17)22-19-7-5-6-8-20(19)30-25(28)23(22)27(33)34/h5-13H,4,14H2,1-3H3,(H2,28,30)(H,33,34)
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n/an/a 13n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145964
PNG
(4-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(NC)nc2ccccc12
Show InChI InChI=1S/C28H27N5O2/c1-5-22-32-25-16(2)14-17(3)30-27(25)33(22)15-18-10-12-19(13-11-18)23-20-8-6-7-9-21(20)31-26(29-4)24(23)28(34)35/h6-14H,5,15H2,1-4H3,(H,29,31)(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50145976
PNG
(2-Amino-4-[4-(2-butyl-5,7-dimethyl-imidazo[4,5-b]p...)
Show SMILES CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1c(C(O)=O)c(N)nc2ccccc12
Show InChI InChI=1S/C29H29N5O2/c1-4-5-10-23-33-26-17(2)15-18(3)31-28(26)34(23)16-19-11-13-20(14-12-19)24-21-8-6-7-9-22(21)32-27(30)25(24)29(35)36/h6-9,11-15H,4-5,10,16H2,1-3H3,(H2,30,32)(H,35,36)
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n/an/a 13n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat angiotensin II receptor, type 1

J Med Chem 47: 2574-86 (2004)


Article DOI: 10.1021/jm031100t
BindingDB Entry DOI: 10.7270/Q25X28DX
More data for this
Ligand-Target Pair
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