BindingDB logo
myBDB logout

PubMed code 22153342

Compile data set for download or QSAR
Found 60 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))
BDBM50360974
PNG
(CHEMBL1935426)
Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360973
PNG
(CHEMBL1935425)
Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2
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
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360974
PNG
(CHEMBL1935426)
Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360978
PNG
(CHEMBL1935423)
Show SMILES C(Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1)C1CCSCC1
Show InChI InChI=1S/C23H33NO2S/c1-2-20(3-1)24-12-10-23(11-13-24)9-6-19-16-21(4-5-22(19)26-23)25-17-18-7-14-27-15-8-18/h4-5,16,18,20H,1-3,6-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360987
PNG
(CHEMBL1935414)
Show SMILES CSCCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO2S/c1-25-15-3-14-23-19-6-7-20-17(16-19)8-9-21(24-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360991
PNG
(CHEMBL1935418)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(O[C@H]3CCOC3)ccc1O2
Show InChI InChI=1S/C21H29NO3/c1-2-17(3-1)22-11-9-21(10-12-22)8-6-16-14-18(4-5-20(16)25-21)24-19-7-13-23-15-19/h4-5,14,17,19H,1-3,6-13,15H2/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360982
PNG
(CHEMBL1935409)
Show SMILES CC[C@@H](O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO3/c1-2-18(23)15-24-19-6-7-20-16(14-19)8-9-21(25-20)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17-18,23H,2-5,8-13,15H2,1H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360976
PNG
(CHEMBL1933091)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCOCC3)ccc1O2
Show InChI InChI=1S/C22H31NO3/c1-2-18(3-1)23-12-10-22(11-13-23)9-6-17-16-20(4-5-21(17)26-22)25-19-7-14-24-15-8-19/h4-5,16,18-19H,1-3,6-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360975
PNG
(CHEMBL1935421)
Show SMILES C(Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1)C1CCCO1
Show InChI InChI=1S/C22H31NO3/c1-3-18(4-1)23-12-10-22(11-13-23)9-8-17-15-19(6-7-21(17)26-22)25-16-20-5-2-14-24-20/h6-7,15,18,20H,1-5,8-14,16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360992
PNG
(CHEMBL1935419)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCSC3)ccc1O2
Show InChI InChI=1S/C21H29NO2S/c1-2-17(3-1)22-11-9-21(10-12-22)8-6-16-14-18(4-5-20(16)24-21)23-19-7-13-25-15-19/h4-5,14,17,19H,1-3,6-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360993
PNG
(CHEMBL1935420)
Show SMILES C(Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1)C1CCOC1
Show InChI InChI=1S/C22H31NO3/c1-2-19(3-1)23-11-9-22(10-12-23)8-6-18-14-20(4-5-21(18)26-22)25-16-17-7-13-24-15-17/h4-5,14,17,19H,1-3,6-13,15-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360984
PNG
(CHEMBL1935411)
Show SMILES CC(C)(O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO3/c1-20(2,23)15-24-18-6-7-19-16(14-18)8-9-21(25-19)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17,23H,3-5,8-13,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360977
PNG
(CHEMBL1935422)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCSCC3)ccc1O2
Show InChI InChI=1S/C22H31NO2S/c1-2-18(3-1)23-12-10-22(11-13-23)9-6-17-16-20(4-5-21(17)25-22)24-19-7-14-26-15-8-19/h4-5,16,18-19H,1-3,6-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360979
PNG
(CHEMBL1935424)
Show SMILES O=S1(=O)CCC(C1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H29NO4S/c23-27(24)13-7-19(15-27)25-18-4-5-20-16(14-18)6-8-21(26-20)9-11-22(12-10-21)17-2-1-3-17/h4-5,14,17,19H,1-3,6-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360973
PNG
(CHEMBL1935425)
Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360981
PNG
(CHEMBL1935408)
Show SMILES CC(O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO3/c1-15(22)14-23-18-5-6-19-16(13-18)7-8-20(24-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,13,15,17,22H,2-4,7-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360983
PNG
(CHEMBL1935410)
Show SMILES CC[C@H](O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO3/c1-2-18(23)15-24-19-6-7-20-16(14-19)8-9-21(25-20)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17-18,23H,2-5,8-13,15H2,1H3/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360990
PNG
(CHEMBL1935417)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(O[C@@H]3CCOC3)ccc1O2
Show InChI InChI=1S/C21H29NO3/c1-2-17(3-1)22-11-9-21(10-12-22)8-6-16-14-18(4-5-20(16)25-21)24-19-7-13-23-15-19/h4-5,14,17,19H,1-3,6-13,15H2/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360986
PNG
(CHEMBL1935413)
Show SMILES CSCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO2S/c1-24-14-13-22-18-5-6-19-16(15-18)7-8-20(23-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,15,17H,2-4,7-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360991
PNG
(CHEMBL1935418)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(O[C@H]3CCOC3)ccc1O2
Show InChI InChI=1S/C21H29NO3/c1-2-17(3-1)22-11-9-21(10-12-22)8-6-16-14-18(4-5-20(16)25-21)24-19-7-13-23-15-19/h4-5,14,17,19H,1-3,6-13,15H2/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360988
PNG
(CHEMBL1935415)
Show SMILES CS(=O)(=O)CCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO4S/c1-26(22,23)14-13-24-18-5-6-19-16(15-18)7-8-20(25-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,15,17H,2-4,7-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360992
PNG
(CHEMBL1935419)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCSC3)ccc1O2
Show InChI InChI=1S/C21H29NO2S/c1-2-17(3-1)22-11-9-21(10-12-22)8-6-16-14-18(4-5-20(16)24-21)23-19-7-13-25-15-19/h4-5,14,17,19H,1-3,6-13,15H2
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
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360985
PNG
(CHEMBL1935412)
Show SMILES COCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO3/c1-22-13-14-23-18-5-6-19-16(15-18)7-8-20(24-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,15,17H,2-4,7-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360976
PNG
(CHEMBL1933091)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCOCC3)ccc1O2
Show InChI InChI=1S/C22H31NO3/c1-2-18(3-1)23-12-10-22(11-13-23)9-6-17-16-20(4-5-21(17)26-22)25-19-7-14-24-15-8-19/h4-5,16,18-19H,1-3,6-15H2
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
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360979
PNG
(CHEMBL1935424)
Show SMILES O=S1(=O)CCC(C1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H29NO4S/c23-27(24)13-7-19(15-27)25-18-4-5-20-16(14-18)6-8-21(26-20)9-11-22(12-10-21)17-2-1-3-17/h4-5,14,17,19H,1-3,6-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360978
PNG
(CHEMBL1935423)
Show SMILES C(Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1)C1CCSCC1
Show InChI InChI=1S/C23H33NO2S/c1-2-20(3-1)24-12-10-23(11-13-24)9-6-19-16-21(4-5-22(19)26-23)25-17-18-7-14-27-15-8-18/h4-5,16,18,20H,1-3,6-15,17H2
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
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360993
PNG
(CHEMBL1935420)
Show SMILES C(Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1)C1CCOC1
Show InChI InChI=1S/C22H31NO3/c1-2-19(3-1)23-11-9-22(10-12-23)8-6-18-14-20(4-5-21(18)26-22)25-16-17-7-13-24-15-17/h4-5,14,17,19H,1-3,6-13,15-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360975
PNG
(CHEMBL1935421)
Show SMILES C(Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1)C1CCCO1
Show InChI InChI=1S/C22H31NO3/c1-3-18(4-1)23-12-10-22(11-13-23)9-8-17-15-19(6-7-21(17)26-22)25-16-20-5-2-14-24-20/h6-7,15,18,20H,1-5,8-14,16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360977
PNG
(CHEMBL1935422)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCSCC3)ccc1O2
Show InChI InChI=1S/C22H31NO2S/c1-2-18(3-1)23-12-10-22(11-13-23)9-6-17-16-20(4-5-21(17)25-22)24-19-7-14-26-15-8-19/h4-5,16,18-19H,1-3,6-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
62n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360987
PNG
(CHEMBL1935414)
Show SMILES CSCCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO2S/c1-25-15-3-14-23-19-6-7-20-17(16-19)8-9-21(24-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
64n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360984
PNG
(CHEMBL1935411)
Show SMILES CC(C)(O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO3/c1-20(2,23)15-24-18-6-7-19-16(14-18)8-9-21(25-19)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17,23H,3-5,8-13,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
74n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360986
PNG
(CHEMBL1935413)
Show SMILES CSCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO2S/c1-24-14-13-22-18-5-6-19-16(15-18)7-8-20(23-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,15,17H,2-4,7-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360982
PNG
(CHEMBL1935409)
Show SMILES CC[C@@H](O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO3/c1-2-18(23)15-24-19-6-7-20-16(14-19)8-9-21(25-20)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17-18,23H,2-5,8-13,15H2,1H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360985
PNG
(CHEMBL1935412)
Show SMILES COCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO3/c1-22-13-14-23-18-5-6-19-16(15-18)7-8-20(24-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,15,17H,2-4,7-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360981
PNG
(CHEMBL1935408)
Show SMILES CC(O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO3/c1-15(22)14-23-18-5-6-19-16(13-18)7-8-20(24-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,13,15,17,22H,2-4,7-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
99n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360983
PNG
(CHEMBL1935410)
Show SMILES CC[C@H](O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO3/c1-2-18(23)15-24-19-6-7-20-16(14-19)8-9-21(25-20)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17-18,23H,2-5,8-13,15H2,1H3/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
112n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360990
PNG
(CHEMBL1935417)
Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(O[C@@H]3CCOC3)ccc1O2
Show InChI InChI=1S/C21H29NO3/c1-2-17(3-1)22-11-9-21(10-12-22)8-6-16-14-18(4-5-20(16)25-21)24-19-7-13-23-15-19/h4-5,14,17,19H,1-3,6-13,15H2/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
119n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50360980
PNG
(CHEMBL1935407)
Show SMILES OCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C19H27NO3/c21-12-13-22-17-4-5-18-15(14-17)6-7-19(23-18)8-10-20(11-9-19)16-2-1-3-16/h4-5,14,16,21H,1-3,6-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
126n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360988
PNG
(CHEMBL1935415)
Show SMILES CS(=O)(=O)CCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C20H29NO4S/c1-26(22,23)14-13-24-18-5-6-19-16(15-18)7-8-20(25-19)9-11-21(12-10-20)17-3-2-4-17/h5-6,15,17H,2-4,7-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
157n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360980
PNG
(CHEMBL1935407)
Show SMILES OCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C19H27NO3/c21-12-13-22-17-4-5-18-15(14-17)6-7-19(23-18)8-10-20(11-9-19)16-2-1-3-16/h4-5,14,16,21H,1-3,6-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
368n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50360974
PNG
(CHEMBL1935426)
Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50360973
PNG
(CHEMBL1935425)
Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50360973
PNG
(CHEMBL1935425)
Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50360974
PNG
(CHEMBL1935426)
Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50360974
PNG
(CHEMBL1935426)
Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50360973
PNG
(CHEMBL1935425)
Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50360973
PNG
(CHEMBL1935425)
Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50360973
PNG
(CHEMBL1935425)
Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2
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 7.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Erg


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50360974
PNG
(CHEMBL1935426)
Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50360974
PNG
(CHEMBL1935426)
Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2
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 human Erg


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50360989
PNG
(CHEMBL1935416)
Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

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

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 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%