Found 13 hits for monomerid = 50079575 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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 | 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
(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 | 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 | |
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 UniProtKB/TrEMBL
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 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 | 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 | 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 | |
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 UniProtKB/TrEMBL
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 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)) | 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 UniProtKB/TrEMBL
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)) | 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 | |
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 | 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 | |
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 UniProtKB/TrEMBL
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 | |