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Compile Data Set for Download or QSAR

Found 10951 hits with Last Name = 'swanson' and Initial = 'm'   
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
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9236
PNG
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C28H38N2O8S/c1-19(2)16-30(39(33,34)22-11-9-21(35-3)10-12-22)17-25(31)24(15-20-7-5-4-6-8-20)29-28(32)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1
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0.0150 -61.8n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 12: 1993-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00300-1
BindingDB Entry DOI: 10.7270/Q2SJ1HS5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346209
PNG
(5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)
Show SMILES CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1
Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25)
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0.210n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem Lett 16: 897-900 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.003
BindingDB Entry DOI: 10.7270/Q2H131M7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50177731
PNG
(CHEMBL204872 | dimethyl-{2-[4-(3-piperidin-1-yl-pr...)
Show SMILES CN(C)CCc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H30N2O/c1-19(2)15-11-17-7-9-18(10-8-17)21-16-6-14-20-12-4-3-5-13-20/h7-10H,3-6,11-16H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem Lett 16: 897-900 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.003
BindingDB Entry DOI: 10.7270/Q2H131M7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.600n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346205
PNG
(5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy...)
Show SMILES C(COc1ccc(CN2CCCCC2)cn1)CN1CCCCC1
Show InChI InChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(16-20-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2
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0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9264
PNG
((2R)-2-hydroxy-2-[(10S)-16-hydroxy-12-oxo-3,4,5,6,...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCCCCCCOc2c(O)cccc2C(=O)N1 |r|
Show InChI InChI=1S/C29H42N2O7S/c1-21(2)19-31(39(35,36)23-16-14-22(37-3)15-17-23)20-27(33)25-12-8-6-4-5-7-9-18-38-28-24(29(34)30-25)11-10-13-26(28)32/h10-11,13-17,21,25,27,32-33H,4-9,12,18-20H2,1-3H3,(H,30,34)/t25-,27+/m0/s1
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0.700 -52.3n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


J Med Chem 48: 3576-85 (2005)


Article DOI: 10.1021/jm050019i
BindingDB Entry DOI: 10.7270/Q2NS0S39
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50089369
PNG
(CHEMBL3577959)
Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CCC2)CC1
Show InChI InChI=1S/C21H30FN3O/c22-19-8-10-23(11-9-19)16-17-4-6-18(7-5-17)21(26)25-14-12-24(13-15-25)20-2-1-3-20/h4-7,19-20H,1-3,8-16H2
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0.700n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346207
PNG
(2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-...)
Show SMILES C(COc1ccc(CN2CCCCC2)nc1)CN1CCCCC1
Show InChI InChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(20-16-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396607
PNG
(3-[5-Bromo-2-(5-trifluoromethyl-furan-2-ylmethoxy)...)
Show SMILES FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1
Show InChI InChI=1S/C16H15BrF3NO2/c17-12-1-3-14(11(6-12)5-10-7-21-8-10)22-9-13-2-4-15(23-13)16(18,19)20/h1-4,6,10,21H,5,7-9H2
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1n/an/an/an/an/an/an/an/a



Novartis



Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q26T0Q0F
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9262
PNG
((2R)-2-hydroxy-2-[(9S)-15-hydroxy-11-oxo-2,3,4,5,6...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCCCCCOc2c(O)cccc2C(=O)N1 |r|
Show InChI InChI=1S/C28H40N2O7S/c1-20(2)18-30(38(34,35)22-15-13-21(36-3)14-16-22)19-26(32)24-11-7-5-4-6-8-17-37-27-23(28(33)29-24)10-9-12-25(27)31/h9-10,12-16,20,24,26,31-32H,4-8,11,17-19H2,1-3H3,(H,29,33)/t24-,26+/m0/s1
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1 -51.4n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


J Med Chem 48: 3576-85 (2005)


Article DOI: 10.1021/jm050019i
BindingDB Entry DOI: 10.7270/Q2NS0S39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396409
PNG
(3-[2-(Azetidin-3-yloxy)-4-chloro-phenoxymethyl]-be...)
Show SMILES Clc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
Show InChI InChI=1S/C17H15ClN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2
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1n/an/an/an/an/an/an/an/a



Novartis



Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q26T0Q0F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217569
PNG
(4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...)
Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from rat histamine H3 receptor in rat cortical hemispheres


Bioorg Med Chem Lett 16: 897-900 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.003
BindingDB Entry DOI: 10.7270/Q2H131M7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50011237
PNG
(CHEMBL3260334 | US9981909, Example 2)
Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2
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1n/an/an/an/an/an/an/an/a



Novartis



Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q26T0Q0F
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50089374
PNG
(CHEMBL3577954)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCCC2)cc1
Show InChI InChI=1S/C21H33N3O/c1-18(2)23-13-15-24(16-14-23)21(25)20-9-7-19(8-10-20)17-22-11-5-3-4-6-12-22/h7-10,18H,3-6,11-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50089375
PNG
(CHEMBL3577953)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346199
PNG
((4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1cnc(CN2CCCCC2)cn1
Show InChI InChI=1S/C18H29N5O/c1-15(2)22-8-10-23(11-9-22)18(24)17-13-19-16(12-20-17)14-21-6-4-3-5-7-21/h12-13,15H,3-11,14H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346201
PNG
((4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)nc1
Show InChI InChI=1S/C19H30N4O/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146835
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclopentyl-piperazin-1-y...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C19H25ClN2O2/c20-16-7-5-15(6-8-16)18(23)9-10-19(24)22-13-11-21(12-14-22)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2
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1.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50089372
PNG
(CHEMBL3577956)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C20H29N3O2/c24-20(23-10-8-22(9-11-23)19-2-1-3-19)18-6-4-17(5-7-18)16-21-12-14-25-15-13-21/h4-7,19H,1-3,8-16H2
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346196
PNG
((4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cn1
Show InChI InChI=1S/C19H30N4O/c1-16(2)22-10-12-23(13-11-22)19(24)18-7-6-17(14-20-18)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50089370
PNG
(CHEMBL3577958)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCC(F)CC2)cc1
Show InChI InChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254364
PNG
(US10112937, Example 271 | US10150765, Example 271 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1F)C(F)(F)F |r|
Show InChI InChI=1S/C18H14F4N6O/c1-10-15-13(28(26-25-15)17-23-7-3-8-24-17)6-9-27(10)16(29)11-4-2-5-12(14(11)19)18(20,21)22/h2-5,7-8,10H,6,9H2,1H3/t10-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9263
PNG
(2-(but-3-en-1-yloxy)-3-hydroxy-N-[(2R,3S)-2-hydrox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCC=C |r|
Show InChI InChI=1S/C31H44N2O7S/c1-6-8-10-11-14-27(32-31(36)26-13-12-15-28(34)30(26)40-20-9-7-2)29(35)22-33(21-23(3)4)41(37,38)25-18-16-24(39-5)17-19-25/h6-7,12-13,15-19,23,27,29,34-35H,1-2,8-11,14,20-22H2,3-5H3,(H,32,36)/t27-,29+/m0/s1
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2 -49.7n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


J Med Chem 48: 3576-85 (2005)


Article DOI: 10.1021/jm050019i
BindingDB Entry DOI: 10.7270/Q2NS0S39
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396384
PNG
(3-[2-(Azetidin-3-yloxy)-4-bromo-phenoxymethyl]-ben...)
Show SMILES Brc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
Show InChI InChI=1S/C17H15BrN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2
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2n/an/an/an/an/an/an/an/a



Novartis



Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q26T0Q0F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396633
PNG
(3-[5-Chloro-2-(naphthalen-2-yloxy)-phenoxy]-azetid...)
Show SMILES Clc1ccc(Oc2ccc3ccccc3c2)c(OC2CNC2)c1
Show InChI InChI=1S/C19H16ClNO2/c20-15-6-8-18(19(10-15)23-17-11-21-12-17)22-16-7-5-13-3-1-2-4-14(13)9-16/h1-10,17,21H,11-12H2
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2n/an/an/an/an/an/an/an/a



Novartis



Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q26T0Q0F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM396570
PNG
(3-(5-Bromo-2-phenethyloxy-phenoxy)-azetidine | US9...)
Show SMILES Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
Show InChI InChI=1S/C17H18BrNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2
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2n/an/an/an/an/an/an/an/a



Novartis



Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q26T0Q0F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50089368
PNG
(CHEMBL3577960)
Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CC2)CC1
Show InChI InChI=1S/C20H28FN3O/c21-18-7-9-22(10-8-18)15-16-1-3-17(4-2-16)20(25)24-13-11-23(12-14-24)19-5-6-19/h1-4,18-19H,5-15H2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM563
PNG
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (1S,2R...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 |r|
Show InChI InChI=1S/C31H47N3O6/c1-31(2,3)33-28(36)25-16-21-11-7-8-12-22(21)17-34(25)18-26(35)24(15-20-9-5-4-6-10-20)32-30(37)40-27-19-39-29-23(27)13-14-38-29/h4-6,9-10,21-27,29,35H,7-8,11-19H2,1-3H3,(H,32,37)(H,33,36)/t21-,22+,23-,24-,25-,26+,27-,29+/m0/s1
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2 -49.7n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 12: 1993-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00300-1
BindingDB Entry DOI: 10.7270/Q2SJ1HS5
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)
BDBM9260
PNG
((2R)-2-hydroxy-2-[(9S)-15-hydroxy-11-oxo-2,5,6,7,8...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCC\C=C/COc2c(O)cccc2C(=O)N1 |r,c:25|
Show InChI InChI=1S/C28H38N2O7S/c1-20(2)18-30(38(34,35)22-15-13-21(36-3)14-16-22)19-26(32)24-11-7-5-4-6-8-17-37-27-23(28(33)29-24)10-9-12-25(27)31/h6,8-10,12-16,20,24,26,31-32H,4-5,7,11,17-19H2,1-3H3,(H,29,33)/b8-6-/t24-,26+/m0/s1
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2 -49.7n/an/an/an/an/a6.425



University of Illinois at Chicago



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


J Med Chem 48: 3576-85 (2005)


Article DOI: 10.1021/jm050019i
BindingDB Entry DOI: 10.7270/Q2NS0S39
More data for this
Ligand-Target Pair
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