Found 5 hits for monomerid = 50327483 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)) | BDBM50327483
(2-(4-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy...)Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccc(F)cc4)C(=O)c3cc2c1 Show InChI InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-22(10-12-28)32-23-7-8-24-20(15-23)16-25-26(31)29(13-14-30(24)25)17-19-3-5-21(27)6-4-19/h3-8,15-16,18,22H,9-14,17H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]-RAMH from human histamine H3 receptor |
Bioorg Med Chem Lett 20: 5713-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50327483
(2-(4-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy...)Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccc(F)cc4)C(=O)c3cc2c1 Show InChI InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-22(10-12-28)32-23-7-8-24-20(15-23)16-25-26(31)29(13-14-30(24)25)17-19-3-5-21(27)6-4-19/h3-8,15-16,18,22H,9-14,17H2,1-2H3 | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 5713-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50327483
(2-(4-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy...)Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccc(F)cc4)C(=O)c3cc2c1 Show InChI InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-22(10-12-28)32-23-7-8-24-20(15-23)16-25-26(31)29(13-14-30(24)25)17-19-3-5-21(27)6-4-19/h3-8,15-16,18,22H,9-14,17H2,1-2H3 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 5713-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50327483
(2-(4-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy...)Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccc(F)cc4)C(=O)c3cc2c1 Show InChI InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-22(10-12-28)32-23-7-8-24-20(15-23)16-25-26(31)29(13-14-30(24)25)17-19-3-5-21(27)6-4-19/h3-8,15-16,18,22H,9-14,17H2,1-2H3 | 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 | 14 | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inverse agonist activity at human recombinant histamine H3 receptor assessed as effect on [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 5713-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50327483
(2-(4-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy...)Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccc(F)cc4)C(=O)c3cc2c1 Show InChI InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-22(10-12-28)32-23-7-8-24-20(15-23)16-25-26(31)29(13-14-30(24)25)17-19-3-5-21(27)6-4-19/h3-8,15-16,18,22H,9-14,17H2,1-2H3 | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 5713-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N |
More data for this Ligand-Target Pair | |