Found 35 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)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50350023
(CHEMBL1813065)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50385250
(CHEMBL2037609)Show SMILES COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c(OC)c1=O |r| Show InChI InChI=1S/C21H29N3O4/c1-16-6-4-11-23(16)12-5-13-28-18-9-7-17(8-10-18)19-14-22-24(15-26-2)21(25)20(19)27-3/h7-10,14,16H,4-6,11-13,15H2,1-3H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350023
(CHEMBL1813065)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50385244
(CHEMBL2037610)Show SMILES COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O |r| Show InChI InChI=1S/C21H29N3O4/c1-16-6-4-11-23(16)12-5-13-28-18-9-7-17(8-10-18)20-19(27-3)14-22-24(15-26-2)21(20)25/h7-10,14,16H,4-6,11-13,15H2,1-3H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385250
(CHEMBL2037609)Show SMILES COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c(OC)c1=O |r| Show InChI InChI=1S/C21H29N3O4/c1-16-6-4-11-23(16)12-5-13-28-18-9-7-17(8-10-18)19-14-22-24(15-26-2)21(25)20(19)27-3/h7-10,14,16H,4-6,11-13,15H2,1-3H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 13 | 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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385244
(CHEMBL2037610)Show SMILES COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O |r| Show InChI InChI=1S/C21H29N3O4/c1-16-6-4-11-23(16)12-5-13-28-18-9-7-17(8-10-18)20-19(27-3)14-22-24(15-26-2)21(20)25/h7-10,14,16H,4-6,11-13,15H2,1-3H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50385245
(CHEMBL2037611)Show SMILES COc1cn[nH]c(=O)c1-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C19H25N3O3/c1-14-5-3-10-22(14)11-4-12-25-16-8-6-15(7-9-16)18-17(24-2)13-20-21-19(18)23/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50385248
(CHEMBL2037606)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCCCC1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | 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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50385247
(CHEMBL2037605)Show SMILES C[C@@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | 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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385248
(CHEMBL2037606)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCCCC1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | 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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385247
(CHEMBL2037605)Show SMILES C[C@@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15-/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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50385249
(CHEMBL2037607)Show SMILES C[C@@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCCCC1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | 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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385245
(CHEMBL2037611)Show SMILES COc1cn[nH]c(=O)c1-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C19H25N3O3/c1-14-5-3-10-22(14)11-4-12-25-16-8-6-15(7-9-16)18-17(24-2)13-20-21-19(18)23/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 62 | 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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50385249
(CHEMBL2037607)Show SMILES C[C@@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCCCC1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 131 | 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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H2 receptor |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H1 receptor |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H1 receptor |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H4 receptor |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H2 receptor |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H4 receptor |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350023
(CHEMBL1813065)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50385243
(CHEMBL2037608)Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50385246
(CHEMBL2037604)Show SMILES C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r| Show InChI InChI=1S/C19H25N3O2/c1-14(12-22-9-3-4-15(22)2)13-24-18-7-5-16(6-8-18)17-10-19(23)21-20-11-17/h5-8,10-11,14-15H,3-4,9,12-13H2,1-2H3,(H,21,23)/t14-,15+/m0/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 20: 3880-6 (2012)
Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64 |
More data for this
Ligand-Target Pair | |
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