Found 6 hits for monomerid = 50352090 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)) | BDBM50352090
(CHEMBL1824241)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)| Show InChI InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2/t21-,23- | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bioprojet-Biotech
Curated by ChEMBL
| Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins |
Bioorg Med Chem Lett 21: 5384-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Mus musculus) | BDBM50352090
(CHEMBL1824241)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)| Show InChI InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2/t21-,23- | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bioprojet-Biotech
Curated by ChEMBL
| Assay Description Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor after 60 mins |
Bioorg Med Chem Lett 21: 5384-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Mus musculus) | BDBM50352090
(CHEMBL1824241)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)| Show InChI InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2/t21-,23- | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bioprojet-Biotech
Curated by ChEMBL
| Assay Description Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis |
Bioorg Med Chem Lett 23: 2548-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.118 BindingDB Entry DOI: 10.7270/Q2416ZFW |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50352090
(CHEMBL1824241)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)| Show InChI InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2/t21-,23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bioprojet-Biotech
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 5384-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50352090
(CHEMBL1824241)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)| Show InChI InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2/t21-,23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bioprojet-Biotech
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 5384-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50352090
(CHEMBL1824241)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)| Show InChI InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2/t21-,23- | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bioprojet-Biotech
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 5384-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.102 BindingDB Entry DOI: 10.7270/Q2DV1K7H |
More data for this Ligand-Target Pair | |