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PubMed code 24513042

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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))
BDBM50364958
PNG
(CHEMBL1950743)
Show SMILES CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25)
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PubMed
4.40n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448291
PNG
(CHEMBL3121099)
Show SMILES CC(C)N1N=C(C2CC2C1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C23H31N3O2/c1-15(2)26-23(27)21-14-20(21)22(24-26)16-6-8-18(9-7-16)28-19-10-12-25(13-11-19)17-4-3-5-17/h6-9,15,17,19-21H,3-5,10-14H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448285
PNG
(CHEMBL3121093)
Show SMILES CN1N=C(C2CC2C1=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C22H29N3O2/c1-24-22(26)20-14-19(20)21(23-24)15-6-8-17(9-7-15)27-18-10-12-25(13-11-18)16-4-2-3-5-16/h6-9,16,18-20H,2-5,10-14H2,1H3
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5.70n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448290
PNG
(CHEMBL3121100)
Show SMILES Fc1ccc(cc1)N1N=C(C2CC2C1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C26H28FN3O2/c27-18-6-8-20(9-7-18)30-26(31)24-16-23(24)25(28-30)17-4-10-21(11-5-17)32-22-12-14-29(15-13-22)19-2-1-3-19/h4-11,19,22-24H,1-3,12-16H2
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6.70n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448293
PNG
(CHEMBL3121097)
Show SMILES CN1N=C(C2CC2C1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)19-13-18(19)20(22-23)14-5-7-16(8-6-14)26-17-9-11-24(12-10-17)15-3-2-4-15/h5-8,15,17-19H,2-4,9-13H2,1H3
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6.90n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448295
PNG
(CHEMBL3121095)
Show SMILES O=C1NN=C([C@H]2C[C@@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448292
PNG
(CHEMBL3121098)
Show SMILES CCN1N=C(C2CC2C1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C22H29N3O2/c1-2-25-22(26)20-14-19(20)21(23-25)15-6-8-17(9-7-15)27-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18-20H,2-5,10-14H2,1H3
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8n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448286
PNG
(CHEMBL3121092)
Show SMILES O=C1NN=C(C2CC12)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c25-21-19-13-18(19)20(22-23-21)14-5-7-16(8-6-14)26-17-9-11-24(12-10-17)15-3-1-2-4-15/h5-8,15,17-19H,1-4,9-13H2,(H,23,25)
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8.10n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448296
PNG
(CHEMBL3121094)
Show SMILES O=C1NN=C(C2CC12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)
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8.40n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448294
PNG
(CHEMBL3121096)
Show SMILES O=C1NN=C([C@@H]2C[C@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m1/s1
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12n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448287
PNG
(CHEMBL3121091)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C1=NN(C)C(=O)C2CC12
Show InChI InChI=1S/C20H27N3O2/c1-13(2)23-10-8-16(9-11-23)25-15-6-4-14(5-7-15)19-17-12-18(17)20(24)22(3)21-19/h4-7,13,16-18H,8-12H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448288
PNG
(CHEMBL3121090)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-12(2)22-9-7-15(8-10-22)24-14-5-3-13(4-6-14)18-16-11-17(16)19(23)21-20-18/h3-6,12,15-17H,7-11H2,1-2H3,(H,21,23)
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51n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50448289
PNG
(CHEMBL3121101)
Show SMILES CCN1CCC(CC1)Oc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C18H23N3O2/c1-2-21-9-7-14(8-10-21)23-13-5-3-12(4-6-13)17-15-11-16(15)18(22)20-19-17/h3-6,14-16H,2,7-11H2,1H3,(H,20,22)
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228n/an/an/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50448295
PNG
(CHEMBL3121095)
Show SMILES O=C1NN=C([C@H]2C[C@@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50448295
PNG
(CHEMBL3121095)
Show SMILES O=C1NN=C([C@H]2C[C@@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50448294
PNG
(CHEMBL3121096)
Show SMILES O=C1NN=C([C@@H]2C[C@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50448294
PNG
(CHEMBL3121096)
Show SMILES O=C1NN=C([C@@H]2C[C@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50448295
PNG
(CHEMBL3121095)
Show SMILES O=C1NN=C([C@H]2C[C@@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50448294
PNG
(CHEMBL3121096)
Show SMILES O=C1NN=C([C@@H]2C[C@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50448295
PNG
(CHEMBL3121095)
Show SMILES O=C1NN=C([C@H]2C[C@@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50448294
PNG
(CHEMBL3121096)
Show SMILES O=C1NN=C([C@@H]2C[C@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m1/s1
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Pharmaceutical Global R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 24: 1303-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.061
BindingDB Entry DOI: 10.7270/Q2Z89DXJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%