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Compile Data Set for Download or QSAR

Found 1478 hits with Last Name = 'phillips' and Initial = 'j'   
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074629
PNG
(4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl...)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Histamine H3 receptor affinity of compound was determined in rat cortical membranes using the H3 selective agonist ligand, [3H]N-alpha-methylhistamin...


Bioorg Med Chem Lett 7: 3017-3022 (1997)


Article DOI: 10.1016/S0960-894X(97)10137-8
BindingDB Entry DOI: 10.7270/Q2280843
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.180n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22916
PNG
(5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...)
Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Histamine H3 receptor affinity of compound was determined in rat cortical membranes using the H3 selective agonist ligand, [3H]N-alpha-methylhistamin...


Bioorg Med Chem Lett 7: 3017-3022 (1997)


Article DOI: 10.1016/S0960-894X(97)10137-8
BindingDB Entry DOI: 10.7270/Q2280843
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074627
PNG
(4-[2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imi...)
Show SMILES CC(C)(C)CCC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)
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0.330n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50604668
PNG
(CHEMBL5180947)
Show SMILES COc1cc2CC(F)(CC3CCN(Cc4cccc(F)c4)CC3)S(=O)(=O)c2cc1OC
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0.400n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114305
BindingDB Entry DOI: 10.7270/Q26M3BX2
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070217
PNG
(3-(3-Bromo-4-methoxy-phenyl)-2-[(E)-hydroxyimino]-...)
Show SMILES COc1ccc(CC(N=O)C(=O)NCCc2cnc[nH]2)cc1Br
Show InChI InChI=1S/C15H17BrN4O3/c1-23-14-3-2-10(6-12(14)16)7-13(20-22)15(21)18-5-4-11-8-17-9-19-11/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,17,19)(H,18,21)
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0.5n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038757
PNG
(6-Bromo-3-((R)-2-pyridin-3-yl-thiazolidine-4-carbo...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(Br)cc12
Show InChI InChI=1S/C20H19BrN4O2S/c1-24(2)20(27)25-10-15(14-6-5-13(21)8-17(14)25)18(26)16-11-28-19(23-16)12-4-3-7-22-9-12/h3-10,16,19,23H,11H2,1-2H3/t16-,19?/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50211457
PNG
(3-(2-((R)-1-(4-sec-butylfuran-2-yl)propylamino)-3,...)
Show SMILES CCC(C)c1coc(c1)[C@@H](CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O |w:2.2|
Show InChI InChI=1S/C24H29N3O5/c1-6-13(3)14-11-18(32-12-14)16(7-2)25-19-20(23(30)22(19)29)26-17-10-8-9-15(21(17)28)24(31)27(4)5/h8-13,16,25-26,28H,6-7H2,1-5H3/t13?,16-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070214
PNG
(4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole | CHEMBL2...)
Show SMILES CC(C)(C)CCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C13H20N2/c1-13(2,3)9-7-5-4-6-8-12-10-14-11-15-12/h10-11H,6-9H2,1-3H3,(H,14,15)
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0.800n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50211449
PNG
((R)-3-(3,4-dioxo-2-(1-(4-(pentan-3-yl)furan-2-yl)p...)
Show SMILES CCC(CC)c1coc(c1)[C@@H](CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C25H31N3O5/c1-6-14(7-2)15-12-19(33-13-15)17(8-3)26-20-21(24(31)23(20)30)27-18-11-9-10-16(22(18)29)25(32)28(4)5/h9-14,17,26-27,29H,6-8H2,1-5H3/t17-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038809
PNG
(3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-ind...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccccc12
Show InChI InChI=1S/C20H20N4O2S/c1-23(2)20(26)24-11-15(14-7-3-4-8-17(14)24)18(25)16-12-27-19(22-16)13-6-5-9-21-10-13/h3-11,16,19,22H,12H2,1-2H3/t16-,19?/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070214
PNG
(4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole | CHEMBL2...)
Show SMILES CC(C)(C)CCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C13H20N2/c1-13(2,3)9-7-5-4-6-8-12-10-14-11-15-12/h10-11H,6-9H2,1-3H3,(H,14,15)
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0.800n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM50070214
PNG
(4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole | CHEMBL2...)
Show SMILES CC(C)(C)CCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C13H20N2/c1-13(2,3)9-7-5-4-6-8-12-10-14-11-15-12/h10-11H,6-9H2,1-3H3,(H,14,15)
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0.830n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070220
PNG
(4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole | CHEMBL...)
Show SMILES C(CC1CCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1(3-7-13-8-5-6-9-13)2-4-10-14-11-15-12-16-14/h11-13H,3-10H2,(H,15,16)
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0.900n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM50070220
PNG
(4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole | CHEMBL...)
Show SMILES C(CC1CCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1(3-7-13-8-5-6-9-13)2-4-10-14-11-15-12-16-14/h11-13H,3-10H2,(H,15,16)
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0.950n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070220
PNG
(4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole | CHEMBL...)
Show SMILES C(CC1CCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1(3-7-13-8-5-6-9-13)2-4-10-14-11-15-12-16-14/h11-13H,3-10H2,(H,15,16)
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0.950n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM7967
PNG
(1-methyl-5-(beta-aminoethyl)-imidazole | 2-(1-meth...)
Show SMILES Cn1cncc1CCN
Show InChI InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3
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1n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038750
PNG
(3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-ind...)
Show SMILES CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccccc12
Show InChI InChI=1S/C22H23N3O3S/c1-22(2,3)28-21(27)25-12-16(15-8-4-5-9-18(15)25)19(26)17-13-29-20(24-17)14-7-6-10-23-11-14/h4-12,17,20,24H,13H2,1-3H3/t17-,20?/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038834
PNG
(6-Benzoyl-3-((R)-2-pyridin-3-yl-thiazolidine-4-car...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O3S/c1-30(2)27(34)31-15-21(25(33)22-16-35-26(29-22)19-9-6-12-28-14-19)20-11-10-18(13-23(20)31)24(32)17-7-4-3-5-8-17/h3-15,22,26,29H,16H2,1-2H3/t22-,26?/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038792
PNG
(6-Benzyloxy-3-((R)-2-pyridin-3-yl-thiazolidine-4-c...)
Show SMILES CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C29H29N3O4S/c1-29(2,3)36-28(34)32-16-23(26(33)24-18-37-27(31-24)20-10-7-13-30-15-20)22-12-11-21(14-25(22)32)35-17-19-8-5-4-6-9-19/h4-16,24,27,31H,17-18H2,1-3H3/t24-,27?/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50211454
PNG
((R)-3-(2-(1-(4-ethylfuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(CC)co1
Show InChI InChI=1S/C22H25N3O5/c1-5-12-10-16(30-11-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4/h7-11,14,23-24,26H,5-6H2,1-4H3/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50211458
PNG
((R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)propy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)C(C)C
Show InChI InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85407
PNG
(GT 2231)
Show SMILES N[C@@H](CC1CCCCC1)C=CCCc1cnc[nH]1 |r,w:10.11|
Show InChI InChI=1S/C15H25N3/c16-14(10-13-6-2-1-3-7-13)8-4-5-9-15-11-17-12-18-15/h4,8,11-14H,1-3,5-7,9-10,16H2,(H,17,18)/b8-4+/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038806
PNG
(6-Chloro-3-((R)-2-pyridin-3-yl-thiazolidine-4-carb...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H19ClN4O2S/c1-24(2)20(27)25-10-15(14-6-5-13(21)8-17(14)25)18(26)16-11-28-19(23-16)12-4-3-7-22-9-12/h3-10,16,19,23H,11H2,1-2H3/t16-,19?/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038777
PNG
((7-Benzyloxy-1H-indol-3-yl)-((R)-2-pyridin-3-yl-th...)
Show SMILES O=C([C@@H]1CSC(N1)c1cccnc1)c1c[nH]c2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C24H21N3O2S/c28-23(20-15-30-24(27-20)17-8-5-11-25-12-17)19-13-26-22-18(19)9-4-10-21(22)29-14-16-6-2-1-3-7-16/h1-13,20,24,26-27H,14-15H2/t20-,24?/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038780
PNG
(CHEMBL64428 | [3-((R)-2-Pyridin-3-yl-thiazolidine-...)
Show SMILES CCOC(=O)Cn1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccccc12
Show InChI InChI=1S/C21H21N3O3S/c1-2-27-19(25)12-24-11-16(15-7-3-4-8-18(15)24)20(26)17-13-28-21(23-17)14-6-5-9-22-10-14/h3-11,17,21,23H,2,12-13H2,1H3/t17-,21?/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038786
PNG
(6-Phenylethynyl-3-((R)-2-pyridin-3-yl-thiazolidine...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(cc12)C#Cc1ccccc1
Show InChI InChI=1S/C28H24N4O2S/c1-31(2)28(34)32-17-23(26(33)24-18-35-27(30-24)21-9-6-14-29-16-21)22-13-12-20(15-25(22)32)11-10-19-7-4-3-5-8-19/h3-9,12-17,24,27,30H,18H2,1-2H3/t24-,27?/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038825
PNG
(6-Benzyloxy-3-((R)-2-pyridin-3-yl-thiazolidine-4-c...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C27H26N4O3S/c1-30(2)27(33)31-15-22(25(32)23-17-35-26(29-23)19-9-6-12-28-14-19)21-11-10-20(13-24(21)31)34-16-18-7-4-3-5-8-18/h3-15,23,26,29H,16-17H2,1-2H3/t23-,26?/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038810
PNG
(3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-ind...)
Show SMILES CCN(CC)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c1-3-25(4-2)22(28)26-13-17(16-9-5-6-10-19(16)26)20(27)18-14-29-21(24-18)15-8-7-11-23-12-15/h5-13,18,21,24H,3-4,14H2,1-2H3/t18-,21?/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074630
PNG
(4-[2-(4-Cyclopentyl-but-1-ynyl)-cyclopropyl]-1H-im...)
Show SMILES C(CC1CCCC1)C#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C15H20N2/c1-2-6-12(5-1)7-3-4-8-13-9-14(13)15-10-16-11-17-15/h10-14H,1-3,5-7,9H2,(H,16,17)
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1.43n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038819
PNG
(CHEMBL64464 | Morpholin-4-yl-[3-((R)-2-pyridin-3-y...)
Show SMILES O=C([C@@H]1CSC(N1)c1cccnc1)c1cn(C(=O)N2CCOCC2)c2ccccc12
Show InChI InChI=1S/C22H22N4O3S/c27-20(18-14-30-21(24-18)15-4-3-7-23-12-15)17-13-26(19-6-2-1-5-16(17)19)22(28)25-8-10-29-11-9-25/h1-7,12-13,18,21,24H,8-11,14H2/t18-,21?/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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1.5n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was evaluated against histamine H3 receptor using [3H]- N-alpha-methylhistamine as radioligand in experiment 2


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038801
PNG
(CHEMBL62830 | [6-(4-Fluoro-benzyloxy)-1H-indol-3-y...)
Show SMILES Fc1ccc(COc2ccc3c(c[nH]c3c2)C(=O)[C@@H]2CSC(N2)c2cccnc2)cc1
Show InChI InChI=1S/C24H20FN3O2S/c25-17-5-3-15(4-6-17)13-30-18-7-8-19-20(12-27-21(19)10-18)23(29)22-14-31-24(28-22)16-2-1-9-26-11-16/h1-12,22,24,27-28H,13-14H2/t22-,24?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038749
PNG
((R)-2-Pyridin-3-yl-thiazolidine-4-carboxylic acid ...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cccc(NC(=O)[C@@H]2CSC(N2)c2cccnc2)c1
Show InChI InChI=1S/C25H25N3O5S/c1-31-20-11-17(12-21(32-2)23(20)33-3)22(29)15-6-4-8-18(10-15)27-24(30)19-14-34-25(28-19)16-7-5-9-26-13-16/h4-13,19,25,28H,14H2,1-3H3,(H,27,30)/t19-,25?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038759
PNG
((6-Benzyloxy-1H-indol-3-yl)-((R)-2-pyridin-3-yl-th...)
Show SMILES O=C([C@@H]1CSC(N1)c1cccnc1)c1c[nH]c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C24H21N3O2S/c28-23(22-15-30-24(27-22)17-7-4-10-25-12-17)20-13-26-21-11-18(8-9-19(20)21)29-14-16-5-2-1-3-6-16/h1-13,22,24,26-27H,14-15H2/t22-,24?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038835
PNG
(6-(4-Fluoro-benzyloxy)-3-((R)-2-pyridin-3-yl-thiaz...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(OCc3ccc(F)cc3)cc12
Show InChI InChI=1S/C27H25FN4O3S/c1-31(2)27(34)32-14-22(25(33)23-16-36-26(30-23)18-4-3-11-29-13-18)21-10-9-20(12-24(21)32)35-15-17-5-7-19(28)8-6-17/h3-14,23,26,30H,15-16H2,1-2H3/t23-,26?/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074624
PNG
(4-[2-(4-Cyclohexyl-but-1-ynyl)-cyclopropyl]-1H-imi...)
Show SMILES C(CC1CCCCC1)C#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C16H22N2/c1-2-6-13(7-3-1)8-4-5-9-14-10-15(14)16-11-17-12-18-16/h11-15H,1-4,6-8,10H2,(H,17,18)
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1.80n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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1.80n/an/an/an/an/an/an/an/a



Gliatech, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 275: 598-604 (1995)


BindingDB Entry DOI: 10.7270/Q21G0JSP
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038752
PNG
(CHEMBL64636 | [6-(4-Fluoro-phenoxy)-1H-indol-3-yl]...)
Show SMILES Fc1ccc(Oc2ccc3c(c[nH]c3c2)C(=O)[C@@H]2CSC(N2)c2cccnc2)cc1
Show InChI InChI=1S/C23H18FN3O2S/c24-15-3-5-16(6-4-15)29-17-7-8-18-19(12-26-20(18)10-17)22(28)21-13-30-23(27-21)14-2-1-9-25-11-14/h1-12,21,23,26-27H,13H2/t21-,23?/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038760
PNG
(6-Fluoro-3-((R)-2-pyridin-3-yl-thiazolidine-4-carb...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(F)cc12
Show InChI InChI=1S/C20H19FN4O2S/c1-24(2)20(27)25-10-15(14-6-5-13(21)8-17(14)25)18(26)16-11-28-19(23-16)12-4-3-7-22-9-12/h3-10,16,19,23H,11H2,1-2H3/t16-,19?/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50211453
PNG
((R)-3-(2-(1-(4-butylfuran-2-yl)propylamino)-3,4-di...)
Show SMILES CCCCc1coc(c1)[C@@H](CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C24H29N3O5/c1-5-7-9-14-12-18(32-13-14)16(6-2)25-19-20(23(30)22(19)29)26-17-11-8-10-15(21(17)28)24(31)27(3)4/h8,10-13,16,25-26,28H,5-7,9H2,1-4H3/t16-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038788
PNG
(3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-ind...)
Show SMILES COC(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccccc12
Show InChI InChI=1S/C19H17N3O3S/c1-25-19(24)22-10-14(13-6-2-3-7-16(13)22)17(23)15-11-26-18(21-15)12-5-4-8-20-9-12/h2-10,15,18,21H,11H2,1H3/t15-,18?/m0/s1
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50211456
PNG
((R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)ethyl...)
Show SMILES CC(C)c1coc(c1)[C@@H](C)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C22H25N3O5/c1-11(2)13-9-16(30-10-13)12(3)23-17-18(21(28)20(17)27)24-15-8-6-7-14(19(15)26)22(29)25(4)5/h6-12,23-24,26H,1-5H3/t12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038754
PNG
(6-(4-Fluoro-phenoxy)-3-((R)-2-pyridin-3-yl-thiazol...)
Show SMILES CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccc(Oc3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H23FN4O3S/c1-30(2)26(33)31-14-21(24(32)22-15-35-25(29-22)16-4-3-11-28-13-16)20-10-9-19(12-23(20)31)34-18-7-5-17(27)6-8-18/h3-14,22,25,29H,15H2,1-2H3/t22-,25?/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038763
PNG
(CHEMBL293259 | N-Methyl-2-[3-((R)-2-pyridin-3-yl-t...)
Show SMILES CNC(=O)Cn1cc(C(=O)[C@@H]2CSC(N2)c2cccnc2)c2ccccc12
Show InChI InChI=1S/C20H20N4O2S/c1-21-18(25)11-24-10-15(14-6-2-3-7-17(14)24)19(26)16-12-27-20(23-16)13-5-4-8-22-9-13/h2-10,16,20,23H,11-12H2,1H3,(H,21,25)/t16-,20?/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50038830
PNG
(6-Methyl-3-((R)-2-pyridin-3-yl-thiazolidine-4-carb...)
Show SMILES Cc1ccc2c(cn(C(=O)OC(C)(C)C)c2c1)C(=O)[C@@H]1CSC(N1)c1cccnc1
Show InChI InChI=1S/C23H25N3O3S/c1-14-7-8-16-17(12-26(19(16)10-14)22(28)29-23(2,3)4)20(27)18-13-30-21(25-18)15-6-5-9-24-11-15/h5-12,18,21,25H,13H2,1-4H3/t18-,21?/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand


J Med Chem 37: 2011-32 (1994)


BindingDB Entry DOI: 10.7270/Q2GH9JM7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074628
PNG
(4-Undec-3-ynyl-1H-imidazole | CHEMBL170723)
Show SMILES CCCCCCCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C14H22N2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15-13-16-14/h12-13H,2-7,10-11H2,1H3,(H,15,16)
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2.80n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM50070211
PNG
(4-(6-Cyclohexyl-hex-3-ynyl)-1H-imidazole | CHEMBL1...)
Show SMILES C(CC1CCCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C15H22N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,3-11H2,(H,16,17)
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2.90n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1151-9 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ64KX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070211
PNG
(4-(6-Cyclohexyl-hex-3-ynyl)-1H-imidazole | CHEMBL1...)
Show SMILES C(CC1CCCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C15H22N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,3-11H2,(H,16,17)
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2.90n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]-Nalpha-methylhistamine displacement.


J Med Chem 42: 903-9 (1999)


Article DOI: 10.1021/jm980310g
BindingDB Entry DOI: 10.7270/Q2ST7P1D
More data for this
Ligand-Target Pair
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