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Compile Data Set for Download or QSAR

Found 2592 hits with Last Name = 'wood' and Initial = 's'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50365855
PNG
(CHEMBL1957843)
Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+
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0.0800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay


Bioorg Med Chem Lett 22: 2200-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


Article DOI: 10.1016/s0960-894x(01)00572-8
BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50365855
PNG
(CHEMBL1957843)
Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor


Bioorg Med Chem Lett 22: 2200-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.120n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118100
PNG
(3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...)
Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027094
PNG
(CHEMBL2112374)
Show SMILES NC(=N)NCc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
Show InChI InChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21-,25+,27+,28-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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0.238n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398597
PNG
(CHEMBL2179584)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCC4)c23)CC1
Show InChI InChI=1S/C21H30N2O3/c1-2-3-12-23-13-10-16(11-14-23)15-24-21-20-18(25-17-6-4-7-17)8-5-9-19(20)26-22-21/h5,8-9,16-17H,2-4,6-7,10-15H2,1H3
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0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118099
PNG
(1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...)
Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O
Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398593
PNG
(CHEMBL2179587)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC(C)C)c23)CC1
Show InChI InChI=1S/C21H32N2O3/c1-4-5-11-23-12-9-17(10-13-23)15-25-21-20-18(24-14-16(2)3)7-6-8-19(20)26-22-21/h6-8,16-17H,4-5,9-15H2,1-3H3
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0.290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50365853
PNG
(CHEMBL1957717)
Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay


Bioorg Med Chem Lett 22: 2200-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


Article DOI: 10.1016/s0960-894x(01)00572-8
BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM86696
PNG
(des-CIC | desisobutyryl-ciclesonide)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)C1CCCCC1
Show InChI InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398596
PNG
(CHEMBL2179589)
Show SMILES CC(C)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C23H34N2O5/c1-17(2)14-28-19-4-3-5-20-21(19)22(24-30-20)29-15-18-6-10-25(11-7-18)16-23(26)8-12-27-13-9-23/h3-5,17-18,26H,6-16H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.480n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027093
PNG
(CHEMBL2112373)
Show SMILES NC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
Show InChI InChI=1S/C29H33N5O3/c30-27(31)32-9-7-15-3-5-20-18(11-15)19-13-29(36)22-12-17-4-6-21(35)25-23(17)28(29,26(37-25)24(19)33-20)8-10-34(22)14-16-1-2-16/h3-6,11,16,22,26,33,35-36H,1-2,7-10,12-14H2,(H4,30,31,32)/t22-,26+,28+,29-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451786
PNG
(CHEMBL423244)
Show SMILES CCOc1ccccc1C\N=C(/N)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-2-21-17-11-7-6-10-16(17)14-20-18(19)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H2,19,20)/b13-12+
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350987
PNG
(CHEMBL1818233)
Show SMILES CC1(O)CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1
Show InChI InChI=1S/C23H30N2O3S/c1-23(26)12-16-24(17-13-23)18-19-8-10-20(11-9-19)21-6-2-3-7-22(21)29(27,28)25-14-4-5-15-25/h2-3,6-11,26H,4-5,12-18H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
BindingDB Entry DOI: 10.7270/Q2X63NBJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398599
PNG
(CHEMBL2179580)
Show SMILES O[C@@H]1CC[C@H](C1)Oc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C24H34N2O6/c27-18-4-5-19(14-18)31-20-2-1-3-21-22(20)23(25-32-21)30-15-17-6-10-26(11-7-17)16-24(28)8-12-29-13-9-24/h1-3,17-19,27-28H,4-16H2/t18-,19-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


Article DOI: 10.1016/s0960-894x(01)00572-8
BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451785
PNG
(CHEMBL159675)
Show SMILES FC(F)(F)Oc1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C17H15F3N2O/c18-17(19,20)23-15-9-5-4-8-14(15)12-22-16(21)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,22)/b11-10+
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0.600n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136119
PNG
(7-[4-aminobenzylamino(imino)methylamino]-22-cyclop...)
Show SMILES NC(NCc1ccc(N)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
Show InChI InChI=1S/C34H36N6O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17,35H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.640n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136114
PNG
(7-[4-chlorobenzylamino(imino)methylamino]-22-cyclo...)
Show SMILES NC(NCc1ccc(Cl)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
Show InChI InChI=1S/C34H34ClN5O3/c35-21-6-3-18(4-7-21)16-37-32(36)38-22-8-9-25-23(14-22)24-15-34(42)27-13-20-5-10-26(41)30-28(20)33(34,31(43-30)29(24)39-25)11-12-40(27)17-19-1-2-19/h3-10,14,19,27,31,39,41-42H,1-2,11-13,15-17H2,(H3,36,37,38)/t27?,31-,33-,34+/m0/s1
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0.660n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237347
PNG
(CHEMBL4093477)
Show SMILES CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)16-4-2/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50124885
PNG
((E)-N-(2-Methoxy-benzyl)-3-phenyl-acrylamidine | C...)
Show SMILES COc1ccccc1CN=C(N)C=Cc1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-20-16-10-6-5-9-15(16)13-19-17(18)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,18,19)
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398594
PNG
(CHEMBL2179585)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-13-24-14-11-17(12-15-24)16-25-22-21-19(26-18-7-4-5-8-18)9-6-10-20(21)27-23-22/h6,9-10,17-18H,2-5,7-8,11-16H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451789
PNG
(CHEMBL159762)
Show SMILES Clc1cccc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H15ClN2/c17-15-8-4-7-14(11-15)12-19-16(18)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H2,18,19)/b10-9+
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50365853
PNG
(CHEMBL1957717)
Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+
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0.810n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor


Bioorg Med Chem Lett 22: 2200-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.850n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
BindingDB Entry DOI: 10.7270/Q2X63NBJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136122
PNG
(7-benzylamino(imino)methylamino-22-cyclopropylmeth...)
Show SMILES NC(NCc1ccccc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
Show InChI InChI=1S/C34H35N5O3/c35-32(36-17-19-4-2-1-3-5-19)37-22-9-10-25-23(15-22)24-16-34(41)27-14-21-8-11-26(40)30-28(21)33(34,31(42-30)29(24)38-25)12-13-39(27)18-20-6-7-20/h1-5,8-11,15,20,27,31,38,40-41H,6-7,12-14,16-18H2,(H3,35,36,37)/t27?,31-,33-,34+/m0/s1
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0.860n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448144
PNG
(CHEMBL3122212)
Show SMILES Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50409575
PNG
(CHEMBL339767 | ZD-7944)
Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O
Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136111
PNG
(7-{2-[4-aminobenzylamino(imino)methylamino]ethyl}-...)
Show SMILES Nc1ccc(CNC(=N)NCCc2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1
Show InChI InChI=1S/C36H40N6O3/c37-24-7-3-21(4-8-24)18-40-34(38)39-13-11-20-5-9-27-25(15-20)26-17-36(44)29-16-23-6-10-28(43)32-30(23)35(36,33(45-32)31(26)41-27)12-14-42(29)19-22-1-2-22/h3-10,15,22,29,33,41,43-44H,1-2,11-14,16-19,37H2,(H3,38,39,40)/t29?,33-,35-,36+/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand


J Med Chem 46: 5505-11 (2003)


Article DOI: 10.1021/jm0309203
BindingDB Entry DOI: 10.7270/Q2V69K9X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398595
PNG
(CHEMBL2179586)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-12-24-13-10-18(11-14-24)16-26-22-21-19(25-15-17-6-4-7-17)8-5-9-20(21)27-23-22/h5,8-9,17-18H,2-4,6-7,10-16H2,1H3
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0.970n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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1n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


Article DOI: 10.1016/s0960-894x(01)00572-8
BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451766
PNG
(CHEMBL159761)
Show SMILES Clc1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)/b11-10+
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1n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350958
PNG
(CHEMBL1818236)
Show SMILES OCCC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC[C@H]2CO)CC1
Show InChI InChI=1S/C26H36N2O4S/c29-18-14-21-12-16-27(17-13-21)19-22-8-10-23(11-9-22)25-6-1-2-7-26(25)33(31,32)28-15-4-3-5-24(28)20-30/h1-2,6-11,21,24,29-30H,3-5,12-20H2/t24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
BindingDB Entry DOI: 10.7270/Q2X63NBJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
BindingDB Entry DOI: 10.7270/Q2X63NBJ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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1.24n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50451778
PNG
(CHEMBL159416)
Show SMILES COc1ccccc1C\N=C(/N)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21)
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells


Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
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