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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'kimura' and Initial = 'r'   
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 receptor (H3)


(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
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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0.880n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Histamine H3 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127604
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
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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2.70n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127605
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127608
PNG
(2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine | ...)
Show SMILES NCC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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10n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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23n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127607
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
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42n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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65n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127601
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL5938...)
Show SMILES N[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
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91n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127606
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL2940...)
Show SMILES N[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m1/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50426561
PNG
(CHEMBL2323965)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-13-11-21-14(2)20-23-19(24-26(13)20)16-8-9-25-12-17(22-18(25)10-16)15-6-4-3-5-7-15/h3-12H,1-2H3
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n/an/a 0.100n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50426560
PNG
(CHEMBL2323963)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1cccc(c1)N1CC[C@H](F)C1
Show InChI InChI=1S/C24H22FN7/c1-15-12-26-16(2)24-28-23(29-32(15)24)18-6-8-31-14-21(27-22(31)11-18)17-4-3-5-20(10-17)30-9-7-19(25)13-30/h3-6,8,10-12,14,19H,7,9,13H2,1-2H3/t19-/m0/s1
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n/an/a 0.160n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50426559
PNG
(CHEMBL2323964)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1ccccn1
Show InChI InChI=1S/C19H15N7/c1-12-10-21-13(2)19-23-18(24-26(12)19)14-6-8-25-11-16(22-17(25)9-14)15-5-3-4-7-20-15/h3-11H,1-2H3
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n/an/a 0.160n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM149699
PNG
(US8975276, 26)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1cccc(c1)C1CC1
Show InChI InChI=1S/C23H20N6/c1-14-12-24-15(2)23-26-22(27-29(14)23)19-8-9-28-13-20(25-21(28)11-19)18-5-3-4-17(10-18)16-6-7-16/h3-5,8-13,16H,6-7H2,1-2H3
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n/an/a 0.330n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM107112
PNG
(US8592423, 2-(2-(1-Ethyl-4-phenyl-1H-imidazol-2-yl...)
Show SMILES CCn1cc(nc1C1CC1c1nc2c(C)ncc(C)n2n1)-c1ccccc1
Show InChI InChI=1S/C21H22N6/c1-4-26-12-18(15-8-6-5-7-9-15)23-21(26)17-10-16(17)19-24-20-14(3)22-11-13(2)27(20)25-19/h5-9,11-12,16-17H,4,10H2,1-3H3
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n/an/a 1.79n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger ad...


US Patent US8592423 (2013)


BindingDB Entry DOI: 10.7270/Q24X56FC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM149700
PNG
(US8975276, 29)
Show SMILES Cc1c(nc2cc(ccn12)-c1nc2c(C)nccn2n1)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-13-20-23-19(24-26(20)11-9-21-13)16-8-10-25-14(2)18(22-17(25)12-16)15-6-4-3-5-7-15/h3-12H,1-2H3
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n/an/a 2.40n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM149697
PNG
(US8975276, 17)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1cc2nc(cn2cc1N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C24H23N7/c1-16-13-25-17(2)24-27-23(28-31(16)24)19-12-22-26-20(18-8-4-3-5-9-18)14-30(22)15-21(19)29-10-6-7-11-29/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3
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n/an/a 3.5n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM107116
PNG
(US8592423, 5,8-Dimethyl-2-(2-(4-phenyl-1-propyl-1H...)
Show SMILES CCCn1cc(nc1C1CC1c1nc2c(C)ncc(C)n2n1)-c1ccccc1
Show InChI InChI=1S/C22H24N6/c1-4-10-27-13-19(16-8-6-5-7-9-16)24-22(27)18-11-17(18)20-25-21-15(3)23-12-14(2)28(21)26-20/h5-9,12-13,17-18H,4,10-11H2,1-3H3
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n/an/a 6.65n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger ad...


US Patent US8592423 (2013)


BindingDB Entry DOI: 10.7270/Q24X56FC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM149696
PNG
(US8975276, 7)
Show SMILES Cc1ccc(-c2cn3ccc(cc3n2)-c2nc3c(C)ncc(C)n3n2)c(C)c1
Show InChI InChI=1S/C22H20N6/c1-13-5-6-18(14(2)9-13)19-12-27-8-7-17(10-20(27)24-19)21-25-22-16(4)23-11-15(3)28(22)26-21/h5-12H,1-4H3
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n/an/a 11n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM107115
PNG
(US8592423, 5,7-Dimethyl-2-(2-(1-methyl-4-phenyl-1H...)
Show SMILES Cc1cc(C)n2nc(nc2n1)C1CC1c1nc(cn1C)-c1ccccc1
Show InChI InChI=1S/C20H20N6/c1-12-9-13(2)26-20(21-12)23-18(24-26)15-10-16(15)19-22-17(11-25(19)3)14-7-5-4-6-8-14/h4-9,11,15-16H,10H2,1-3H3
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n/an/a 14.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger ad...


US Patent US8592423 (2013)


BindingDB Entry DOI: 10.7270/Q24X56FC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM149698
PNG
(US8975276, 21)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)C1CC1
Show InChI InChI=1S/C17H16N6/c1-10-8-18-11(2)17-20-16(21-23(10)17)13-5-6-22-9-14(12-3-4-12)19-15(22)7-13/h5-9,12H,3-4H2,1-2H3
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n/an/a 26n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...


US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50277665
PNG
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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n/an/a 730n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50277784
PNG
(CHEMBL484928 | N,N,2-trimethyl-5-nitrobenzenesulfo...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50277665
PNG
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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n/an/a 6.10E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50059035
PNG
(3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...)
Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Bioorg Med Chem Lett 19: 2129-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.007
BindingDB Entry DOI: 10.7270/Q2D79B9B
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127601
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL5938...)
Show SMILES N[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127608
PNG
(2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine | ...)
Show SMILES NCC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127605
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127607
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127601
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL5938...)
Show SMILES N[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127608
PNG
(2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine | ...)
Show SMILES NCC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127606
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL2940...)
Show SMILES N[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H4 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127604
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m0/s1
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127607
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127601
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL5938...)
Show SMILES N[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127606
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL2940...)
Show SMILES N[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
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