Found 54 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)) | BDBM50350021
(CHEMBL1813067)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079582
(CHEMBL3417582)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1 |r,t:15| Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50350021
(CHEMBL1813067)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079599
(CHEMBL3417506)Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079598
(CHEMBL3417507)Show SMILES O=C1NN=C(C2CC12)c1ccc(OCCCN2CCCCC2)cc1 |c:3| Show InChI InChI=1S/C19H25N3O2/c23-19-17-13-16(17)18(20-21-19)14-5-7-15(8-6-14)24-12-4-11-22-9-2-1-3-10-22/h5-8,16-17H,1-4,9-13H2,(H,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079580
(CHEMBL3417584)Show SMILES Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12 |t:19| Show InChI InChI=1S/C20H27N3O2/c1-14-12-15(25-11-5-10-23-8-3-2-4-9-23)6-7-16(14)19-17-13-18(17)20(24)22-21-19/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079581
(CHEMBL3417583)Show SMILES C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1 |r,t:15| Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079598
(CHEMBL3417507)Show SMILES O=C1NN=C(C2CC12)c1ccc(OCCCN2CCCCC2)cc1 |c:3| Show InChI InChI=1S/C19H25N3O2/c23-19-17-13-16(17)18(20-21-19)14-5-7-15(8-6-14)24-12-4-11-22-9-2-1-3-10-22/h5-8,16-17H,1-4,9-13H2,(H,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079599
(CHEMBL3417506)Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079582
(CHEMBL3417582)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1 |r,t:15| Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079581
(CHEMBL3417583)Show SMILES C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1 |r,t:15| Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50079580
(CHEMBL3417584)Show SMILES Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12 |t:19| Show InChI InChI=1S/C20H27N3O2/c1-14-12-15(25-11-5-10-23-8-3-2-4-9-23)6-7-16(14)19-17-13-18(17)20(24)22-21-19/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Binding affinity to rat histamine H3 receptor |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of alpha-2C adrenergic receptor (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of alpha-2C adrenergic receptor (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human H1R |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human H4R |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human H4R |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human H2R |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human H1R |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human H2R |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50079578
(CHEMBL3417504)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp technique |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50079579
(CHEMBL3417505)Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079575
(CHEMBL3417586)Show SMILES [H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/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 | 0.600 | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of RAMH-induced [35S]GTPgammaS binding relative to control |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50079576
(CHEMBL3417585)Show SMILES [H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6| Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/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 | 0.700 | n/a | n/a | n/a | n/a |
Teva Global R&D.
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of RAMH-induced [35S]GTPgammaS binding relative to control |
Eur J Med Chem 95: 349-56 (2015)
Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M |
More data for this
Ligand-Target Pair | |
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