BindingDB logo
myBDB logout

PubMed code 21944855

Compile data set for download or QSAR
Found 30 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 receptor (H3)


(Homo sapiens (human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357156
PNG
(CHEMBL1917640)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1
Show InChI InChI=1S/C24H27N3O/c1-19-6-5-16-26(19)17-15-20-9-11-22(12-10-20)23-13-14-24(28)27(25-23)18-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18H2,1H3/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357155
PNG
(CHEMBL1917639)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357156
PNG
(CHEMBL1917640)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1
Show InChI InChI=1S/C24H27N3O/c1-19-6-5-16-26(19)17-15-20-9-11-22(12-10-20)23-13-14-24(28)27(25-23)18-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18H2,1H3/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
18n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357155
PNG
(CHEMBL1917639)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357151
PNG
(CHEMBL1917465)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C17H21N3O/c1-13-3-2-11-20(13)12-10-14-4-6-15(7-5-14)16-8-9-17(21)19-18-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,21)/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357153
PNG
(CHEMBL1917467)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-18-6-5-16-25(18)17-15-19-9-11-20(12-10-19)22-13-14-23(27)26(24-22)21-7-3-2-4-8-21/h2-4,7-14,18H,5-6,15-17H2,1H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357153
PNG
(CHEMBL1917467)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-18-6-5-16-25(18)17-15-19-9-11-20(12-10-19)22-13-14-23(27)26(24-22)21-7-3-2-4-8-21/h2-4,7-14,18H,5-6,15-17H2,1H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357151
PNG
(CHEMBL1917465)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C17H21N3O/c1-13-3-2-11-20(13)12-10-14-4-6-15(7-5-14)16-8-9-17(21)19-18-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,21)/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357157
PNG
(CHEMBL1917641)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccn1
Show InChI InChI=1S/C22H24N4O/c1-17-5-4-15-25(17)16-13-18-7-9-19(10-8-18)20-11-12-22(27)26(24-20)21-6-2-3-14-23-21/h2-3,6-12,14,17H,4-5,13,15-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357152
PNG
(CHEMBL1917466)
Show SMILES Cn1nc(ccc1=O)-c1ccc(CCN2CCCC2)cc1
Show InChI InChI=1S/C17H21N3O/c1-19-17(21)9-8-16(18-19)15-6-4-14(5-7-15)10-13-20-11-2-3-12-20/h4-9H,2-3,10-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
83n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357152
PNG
(CHEMBL1917466)
Show SMILES Cn1nc(ccc1=O)-c1ccc(CCN2CCCC2)cc1
Show InChI InChI=1S/C17H21N3O/c1-19-17(21)9-8-16(18-19)15-6-4-14(5-7-15)10-13-20-11-2-3-12-20/h4-9H,2-3,10-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50357157
PNG
(CHEMBL1917641)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccn1
Show InChI InChI=1S/C22H24N4O/c1-17-5-4-15-25(17)16-13-18-7-9-19(10-8-18)20-11-12-22(27)26(24-20)21-6-2-3-14-23-21/h2-3,6-12,14,17H,4-5,13,15-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
242n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat H3R expressed in CHO cells


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357154
PNG
(CHEMBL1917468)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O/c1-17-3-2-15-26(17)16-14-18-4-6-19(7-5-18)22-12-13-23(28)27(25-22)21-10-8-20(24)9-11-21/h4-13,17H,2-3,14-16H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.10n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50357150
PNG
(CHEMBL1917464)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H23N3O/c1-14-4-3-12-21(14)13-11-15-5-7-16(8-6-15)17-9-10-18(22)20(2)19-17/h5-10,14H,3-4,11-13H2,1-2H3/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 21: 6362-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.104
BindingDB Entry DOI: 10.7270/Q26110QM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%