Found 64 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384937
(CHEMBL2036648)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O3/c1-21-4-2-13-30(21)14-3-19-34-25-11-7-22(8-12-25)26(32)20-29-15-17-31(18-16-29)27(33)23-5-9-24(28)10-6-23/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384940
(CHEMBL2036651)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccn1C |r| Show InChI InChI=1S/C26H36N4O3/c1-21-6-3-13-29(21)14-5-19-33-23-10-8-22(9-11-23)25(31)20-28-15-17-30(18-16-28)26(32)24-7-4-12-27(24)2/h4,7-12,21H,3,5-6,13-20H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384941
(CHEMBL2036652)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C29H35N3O3S/c1-22-6-4-13-31(22)14-5-19-35-25-11-9-23(10-12-25)26(33)21-30-15-17-32(18-16-30)29(34)28-20-24-7-2-3-8-27(24)36-28/h2-3,7-12,20,22H,4-6,13-19,21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384939
(CHEMBL2036650)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccco1 |r| Show InChI InChI=1S/C25H33N3O4/c1-20-5-2-11-27(20)12-4-18-31-22-9-7-21(8-10-22)23(29)19-26-13-15-28(16-14-26)25(30)24-6-3-17-32-24/h3,6-10,17,20H,2,4-5,11-16,18-19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384935
(CHEMBL2036647)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C22H30F3N3O3/c1-17-4-2-9-27(17)10-3-15-31-19-7-5-18(6-8-19)20(29)16-26-11-13-28(14-12-26)21(30)22(23,24)25/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384932
(CHEMBL2036642)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H31F3N2O2/c1-17-4-2-11-27(17)12-3-15-29-20-7-5-18(6-8-20)21(28)16-26-13-9-19(10-14-26)22(23,24)25/h5-8,17,19H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384934
(CHEMBL2036646)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C22H33N3O3/c1-18-5-3-10-24(18)11-4-16-28-21-8-6-20(7-9-21)22(27)17-23-12-14-25(15-13-23)19(2)26/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384944
(CHEMBL2036657)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O4/c1-21-4-2-13-30(21)14-3-19-34-24-9-5-22(6-10-24)26(32)20-29-15-17-31(18-16-29)27(33)35-25-11-7-23(28)8-12-25/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384926
(CHEMBL2036645)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)C1 |r| Show InChI InChI=1S/C20H28F2N2O2/c1-16-4-2-10-24(16)11-3-13-26-18-7-5-17(6-8-18)19(25)14-23-12-9-20(21,22)15-23/h5-8,16H,2-4,9-15H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384936
(CHEMBL2036634)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H33N3O4S/c1-18-5-3-10-23(18)11-4-16-28-20-8-6-19(7-9-20)21(25)17-22-12-14-24(15-13-22)29(2,26)27/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384944
(CHEMBL2036657)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O4/c1-21-4-2-13-30(21)14-3-19-34-24-9-5-22(6-10-24)26(32)20-29-15-17-31(18-16-29)27(33)35-25-11-7-23(28)8-12-25/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384943
(CHEMBL2036656)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O4/c1-22-7-5-14-29(22)15-6-20-33-24-12-10-23(11-13-24)26(31)21-28-16-18-30(19-17-28)27(32)34-25-8-3-2-4-9-25/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384930
(CHEMBL2036654)Show SMILES CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C23H35N3O4/c1-3-29-23(28)26-15-13-24(14-16-26)18-22(27)20-7-9-21(10-8-20)30-17-5-12-25-11-4-6-19(25)2/h7-10,19H,3-6,11-18H2,1-2H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384941
(CHEMBL2036652)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C29H35N3O3S/c1-22-6-4-13-31(22)14-5-19-35-25-11-9-23(10-12-25)26(33)21-30-15-17-32(18-16-30)29(34)28-20-24-7-2-3-8-27(24)36-28/h2-3,7-12,20,22H,4-6,13-19,21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384938
(CHEMBL2036649)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccs1 |r| Show InChI InChI=1S/C25H33N3O3S/c1-20-5-2-11-27(20)12-4-17-31-22-9-7-21(8-10-22)23(29)19-26-13-15-28(16-14-26)25(30)24-6-3-18-32-24/h3,6-10,18,20H,2,4-5,11-17,19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384942
(CHEMBL2036655)Show SMILES CC(C)COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C25H39N3O4/c1-20(2)19-32-25(30)28-15-13-26(14-16-28)18-24(29)22-7-9-23(10-8-22)31-17-5-12-27-11-4-6-21(27)3/h7-10,20-21H,4-6,11-19H2,1-3H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50365043
(CHEMBL1951055)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384937
(CHEMBL2036648)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O3/c1-21-4-2-13-30(21)14-3-19-34-25-11-7-22(8-12-25)26(32)20-29-15-17-31(18-16-29)27(33)23-5-9-24(28)10-6-23/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384931
(CHEMBL2036641)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C#N |r| Show InChI InChI=1S/C22H31N3O2/c1-18-4-2-11-25(18)12-3-15-27-21-7-5-20(6-8-21)22(26)17-24-13-9-19(16-23)10-14-24/h5-8,18-19H,2-4,9-15,17H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384943
(CHEMBL2036656)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C27H35N3O4/c1-22-7-5-14-29(22)15-6-20-33-24-12-10-23(11-13-24)26(31)21-28-16-18-30(19-17-28)27(32)34-25-8-3-2-4-9-25/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384938
(CHEMBL2036649)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccs1 |r| Show InChI InChI=1S/C25H33N3O3S/c1-20-5-2-11-27(20)12-4-17-31-22-9-7-21(8-10-22)23(29)19-26-13-15-28(16-14-26)25(30)24-6-3-18-32-24/h3,6-10,18,20H,2,4-5,11-17,19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384933
(CHEMBL2036644)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-5-2-12-25(17)13-4-14-27-19-8-6-18(7-9-19)20(26)15-24-11-3-10-21(22,23)16-24/h6-9,17H,2-5,10-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384932
(CHEMBL2036642)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C(F)(F)F |r| Show InChI InChI=1S/C22H31F3N2O2/c1-17-4-2-11-27(17)12-3-15-29-20-7-5-18(6-8-20)21(28)16-26-13-9-19(10-14-26)22(23,24)25/h5-8,17,19H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384940
(CHEMBL2036651)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1cccn1C |r| Show InChI InChI=1S/C26H36N4O3/c1-21-6-3-13-29(21)14-5-19-33-23-10-8-22(9-11-23)25(31)20-28-15-17-30(18-16-28)26(32)24-7-4-12-27(24)2/h4,7-12,21H,3,5-6,13-20H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384942
(CHEMBL2036655)Show SMILES CC(C)COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C25H39N3O4/c1-20(2)19-32-25(30)28-15-13-26(14-16-28)18-24(29)22-7-9-23(10-8-22)31-17-5-12-27-11-4-6-21(27)3/h7-10,20-21H,4-6,11-19H2,1-3H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384939
(CHEMBL2036650)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccco1 |r| Show InChI InChI=1S/C25H33N3O4/c1-20-5-2-11-27(20)12-4-18-31-22-9-7-21(8-10-22)23(29)19-26-13-15-28(16-14-26)25(30)24-6-3-17-32-24/h3,6-10,17,20H,2,4-5,11-16,18-19H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384935
(CHEMBL2036647)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C22H30F3N3O3/c1-17-4-2-9-27(17)10-3-15-31-19-7-5-18(6-8-19)20(29)16-26-11-13-28(14-12-26)21(30)22(23,24)25/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384926
(CHEMBL2036645)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)C1 |r| Show InChI InChI=1S/C20H28F2N2O2/c1-16-4-2-10-24(16)11-3-13-26-18-7-5-17(6-8-18)19(25)14-23-12-9-20(21,22)15-23/h5-8,16H,2-4,9-15H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384930
(CHEMBL2036654)Show SMILES CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C23H35N3O4/c1-3-29-23(28)26-15-13-24(14-16-26)18-22(27)20-7-9-21(10-8-20)30-17-5-12-25-11-4-6-19(25)2/h7-10,19H,3-6,11-18H2,1-2H3/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384931
(CHEMBL2036641)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C#N |r| Show InChI InChI=1S/C22H31N3O2/c1-18-4-2-11-25(18)12-3-15-27-21-7-5-20(6-8-21)22(26)17-24-13-9-19(16-23)10-14-24/h5-8,18-19H,2-4,9-15,17H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384936
(CHEMBL2036634)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H33N3O4S/c1-18-5-3-10-23(18)11-4-16-28-20-8-6-19(7-9-20)21(25)17-22-12-14-24(15-13-22)29(2,26)27/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384934
(CHEMBL2036646)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C22H33N3O3/c1-18-5-3-10-24(18)11-4-16-28-21-8-6-20(7-9-21)22(27)17-23-12-14-25(15-13-23)19(2)26/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50384933
(CHEMBL2036644)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCCC(F)(F)C1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-5-2-12-25(17)13-4-14-27-19-8-6-18(7-9-19)20(26)15-24-11-3-10-21(22,23)16-24/h6-9,17H,2-5,10-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50365043
(CHEMBL1951055)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50384930
(CHEMBL2036654)Show SMILES CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C23H35N3O4/c1-3-29-23(28)26-15-13-24(14-16-26)18-22(27)20-7-9-21(10-8-20)30-17-5-12-25-11-4-6-19(25)2/h7-10,19H,3-6,11-18H2,1-2H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50365043
(CHEMBL1951055)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50365043
(CHEMBL1951055)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50365043
(CHEMBL1951055)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50365043
(CHEMBL1951055)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50365043
(CHEMBL1951055)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384928
(CHEMBL2036635)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H35N3O3/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24/h2-4,8-13,22H,5-7,14-21H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384927
(CHEMBL2036653)Show SMILES COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r| Show InChI InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384929
(CHEMBL2036643)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H30F2N2O2/c1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 22: 2807-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX |
More data for this
Ligand-Target Pair | |
Search and Browse
