Found 52 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)) | BDBM50352086
(CHEMBL1824245)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.26,-32.26,;22.8,-32.26,;23.57,-30.93,;25.11,-30.93,;25.87,-32.27,;27.41,-32.28,;28.19,-30.95,;27.42,-29.61,;25.88,-29.6,;29.73,-30.96,;30.49,-32.3,;32.02,-32.32,;32.81,-30.99,;32.05,-29.65,;30.5,-29.63,;34.35,-31,;35.24,-32.26,;36.71,-31.79,;38.03,-32.57,;39.37,-31.82,;39.38,-30.27,;38.06,-29.5,;36.72,-30.25,;35.26,-29.76,;20.49,-30.92,;18.95,-30.92,;18.18,-32.25,;16.64,-32.25,;15.87,-30.92,;16.64,-29.59,;18.18,-29.59,)| Show InChI InChI=1S/C28H38N2O/c1-4-17-29(18-5-1)19-6-20-31-28-15-11-24(12-16-28)23-9-13-27(14-10-23)30-21-25-7-2-3-8-26(25)22-30/h2-3,7-8,11-12,15-16,23,27H,1,4-6,9-10,13-14,17-22H2/t23-,27- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | 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
(Homo sapiens (Human)) | BDBM50352099
(CHEMBL1824231)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.210 | 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
(Homo sapiens (Human)) | BDBM50352097
(CHEMBL1824233)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.79,-1.47,;18.33,-1.47,;19.11,-.14,;20.65,-.14,;21.41,-1.49,;22.94,-1.49,;23.72,-.16,;22.96,1.17,;21.41,1.18,;25.27,-.18,;26.03,-1.52,;27.56,-1.53,;28.34,-.2,;27.58,1.14,;26.04,1.15,;29.88,-.22,;30.96,-1.32,;32.06,-.24,;30.98,.86,;16.03,-.14,;14.49,-.14,;13.72,-1.46,;12.18,-1.46,;11.41,-.14,;12.18,1.2,;13.72,1.2,)| Show InChI InChI=1S/C23H36N2O/c1-2-14-24(15-3-1)16-5-19-26-23-12-8-21(9-13-23)20-6-10-22(11-7-20)25-17-4-18-25/h8-9,12-13,20,22H,1-7,10-11,14-19H2/t20-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | 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
(Homo sapiens (Human)) | BDBM50352095
(CHEMBL1824235)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.25 | 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
(Homo sapiens (Human)) | BDBM50352084
(CHEMBL1824247)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)NCc1ccccc1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(-6.54,-1.94,;-5,-1.94,;-4.23,-.6,;-2.69,-.6,;-1.93,-1.95,;-.39,-1.96,;.39,-.63,;-.38,.71,;-1.92,.72,;1.93,-.63,;2.69,-1.98,;4.22,-1.99,;5,-.67,;4.24,.68,;2.7,.69,;6.54,-.67,;7.31,.66,;8.85,.66,;9.62,-.68,;11.16,-.68,;11.93,.65,;11.15,1.99,;9.62,1.98,;-7.31,-.6,;-8.85,-.6,;-9.62,-1.93,;-11.16,-1.93,;-11.93,-.6,;-11.16,.73,;-9.62,.73,)| Show InChI InChI=1S/C27H38N2O/c1-3-8-23(9-4-1)22-28-26-14-10-24(11-15-26)25-12-16-27(17-13-25)30-21-7-20-29-18-5-2-6-19-29/h1,3-4,8-9,12-13,16-17,24,26,28H,2,5-7,10-11,14-15,18-22H2/t24-,26- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | 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) | BDBM50352081
(CHEMBL1824230)Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.280 | 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
(Homo sapiens (Human)) | BDBM50352085
(CHEMBL1824246)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)NCc1ccccc1)CN1CCCCC1 |r,wU:9.9,12.16,(-6.54,-1.94,;-5,-1.94,;-4.23,-.6,;-2.69,-.6,;-1.93,-1.95,;-.39,-1.96,;.39,-.63,;-.38,.71,;-1.92,.72,;1.93,-.63,;2.69,-1.98,;4.22,-1.99,;5,-.67,;4.24,.68,;2.7,.69,;6.54,-.67,;7.31,.66,;8.85,.66,;9.62,-.68,;11.16,-.68,;11.93,.65,;11.15,1.99,;9.62,1.98,;-7.31,-.6,;-8.85,-.6,;-9.62,-1.93,;-11.16,-1.93,;-11.93,-.6,;-11.16,.73,;-9.62,.73,)| Show InChI InChI=1S/C27H38N2O/c1-3-8-23(9-4-1)22-28-26-14-10-24(11-15-26)25-12-16-27(17-13-25)30-21-7-20-29-18-5-2-6-19-29/h1,3-4,8-9,12-13,16-17,24,26,28H,2,5-7,10-11,14-15,18-22H2/t24-,26+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | 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
(Homo sapiens (Human)) | BDBM50352081
(CHEMBL1824230)Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | 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
(Homo sapiens (Human)) | BDBM50352092
(CHEMBL1824239)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:7.7,wD:10.14,(38.82,-17.68,;37.28,-17.66,;36.49,-18.99,;34.95,-18.97,;34.2,-17.63,;34.98,-16.3,;36.52,-16.32,;32.66,-17.61,;31.88,-18.94,;30.34,-18.93,;29.58,-17.59,;30.35,-16.26,;31.9,-16.27,;28.04,-17.57,;27.26,-18.9,;25.73,-18.89,;24.96,-17.55,;23.42,-17.55,;22.65,-18.88,;21.11,-18.88,;20.34,-17.54,;18.8,-17.54,;18.04,-18.87,;16.5,-18.87,;15.72,-17.54,;16.5,-16.21,;18.04,-16.21,;25.73,-16.22,;27.27,-16.23,)| Show InChI InChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3/t22-,24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.320 | 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
(Homo sapiens (Human)) | BDBM50352096
(CHEMBL1824234)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.18,-6.04,;-3.64,-6.04,;-2.87,-4.71,;-1.33,-4.71,;-.56,-6.05,;.97,-6.06,;1.75,-4.73,;.98,-3.39,;-.56,-3.38,;3.29,-4.74,;4.05,-6.09,;5.59,-6.1,;6.37,-4.77,;5.61,-3.43,;4.07,-3.41,;7.91,-4.78,;8.81,-6.04,;10.27,-5.57,;10.29,-4.03,;8.83,-3.54,;-5.95,-4.7,;-7.49,-4.7,;-8.25,-6.03,;-9.79,-6.03,;-10.57,-4.7,;-9.79,-3.37,;-8.25,-3.37,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.330 | 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) | BDBM50352095
(CHEMBL1824235)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.330 | 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
(Homo sapiens (Human)) | BDBM50352098
(CHEMBL1824232)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.54,-1.1,;-4,-1.1,;-3.23,.23,;-1.69,.23,;-.93,-1.11,;.61,-1.12,;1.38,.21,;.62,1.55,;-.93,1.56,;2.93,.19,;3.69,-1.15,;5.22,-1.16,;6.01,.17,;5.25,1.51,;3.7,1.52,;7.55,.15,;8.62,-.94,;9.72,.13,;8.64,1.23,;-6.31,.24,;-7.85,.24,;-8.62,-1.09,;-10.16,-1.09,;-10.93,.24,;-10.16,1.57,;-8.62,1.57,)| Show InChI InChI=1S/C23H36N2O/c1-2-14-24(15-3-1)16-5-19-26-23-12-8-21(9-13-23)20-6-10-22(11-7-20)25-17-4-18-25/h8-9,12-13,20,22H,1-7,10-11,14-19H2/t20-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | 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
(Homo sapiens (Human)) | BDBM50352087
(CHEMBL1824244)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1 |r,wU:9.9,12.16,(-4.94,-32.61,;-3.4,-32.61,;-2.63,-31.28,;-1.09,-31.28,;-.33,-32.62,;1.2,-32.63,;1.98,-31.3,;1.22,-29.96,;-.33,-29.95,;3.53,-31.31,;4.29,-32.65,;5.82,-32.67,;6.61,-31.34,;5.84,-30,;4.3,-29.98,;8.15,-31.35,;9.04,-32.61,;10.5,-32.14,;11.83,-32.92,;13.17,-32.17,;13.18,-30.62,;11.85,-29.85,;10.52,-30.6,;9.06,-30.11,;-5.71,-31.27,;-7.25,-31.27,;-8.02,-32.6,;-9.56,-32.6,;-10.33,-31.27,;-9.56,-29.94,;-8.02,-29.94,)| Show InChI InChI=1S/C28H38N2O/c1-4-17-29(18-5-1)19-6-20-31-28-15-11-24(12-16-28)23-9-13-27(14-10-23)30-21-25-7-2-3-8-26(25)22-30/h2-3,7-8,11-12,15-16,23,27H,1,4-6,9-10,13-14,17-22H2/t23-,27+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
(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
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) | BDBM50352099
(CHEMBL1824231)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.520 | 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
(Homo sapiens (Human)) | BDBM50352080
(CHEMBL1824248)Show SMILES CCCCN[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:8.11,5.4,(13.77,-38.89,;12.23,-38.87,;11.45,-40.2,;9.91,-40.18,;9.13,-41.51,;7.59,-41.5,;6.8,-42.82,;5.27,-42.81,;4.51,-41.47,;5.28,-40.14,;6.82,-40.16,;2.96,-41.46,;2.18,-42.79,;.65,-42.78,;-.11,-41.44,;-1.65,-41.43,;-2.42,-42.77,;-3.96,-42.76,;-4.73,-41.43,;-6.27,-41.43,;-7.04,-42.75,;-8.58,-42.75,;-9.35,-41.43,;-8.58,-40.09,;-7.04,-40.09,;.65,-40.11,;2.2,-40.12,)| Show InChI InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3/t21-,23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | 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
(Homo sapiens (Human)) | BDBM50352094
(CHEMBL1824237)Show SMILES CC1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:10.14,7.7,(24.57,-13.55,;23.03,-13.53,;22.24,-14.85,;20.71,-14.83,;19.96,-13.49,;20.73,-12.16,;22.28,-12.18,;18.42,-13.48,;17.64,-14.8,;16.1,-14.79,;15.34,-13.45,;16.11,-12.12,;17.66,-12.14,;13.8,-13.44,;13.02,-14.76,;11.49,-14.76,;10.72,-13.42,;9.19,-13.41,;8.41,-14.75,;6.87,-14.74,;6.11,-13.41,;4.57,-13.41,;3.8,-14.73,;2.26,-14.73,;1.49,-13.41,;2.26,-12.07,;3.8,-12.07,;11.49,-12.09,;13.03,-12.1,)| Show InChI InChI=1S/C26H42N2O/c1-22-14-19-28(20-15-22)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29-21-5-18-27-16-3-2-4-17-27/h8-9,12-13,22-23,25H,2-7,10-11,14-21H2,1H3/t23-,25+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.560 | 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
(Homo sapiens (Human)) | BDBM50352088
(CHEMBL1824243)Show SMILES OC1CCN(CC1)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:7.7,wD:10.14,(38.79,-26.58,;37.25,-26.57,;36.46,-27.89,;34.93,-27.87,;34.18,-26.53,;34.95,-25.2,;36.5,-25.22,;32.64,-26.51,;31.85,-27.84,;30.32,-27.83,;29.56,-26.49,;30.33,-25.16,;31.88,-25.17,;28.02,-26.47,;27.24,-27.8,;25.71,-27.8,;24.94,-26.45,;23.4,-26.45,;22.63,-27.78,;21.09,-27.78,;20.33,-26.45,;18.79,-26.44,;18.02,-27.77,;16.48,-27.77,;15.71,-26.44,;16.48,-25.11,;18.02,-25.11,;25.71,-25.13,;27.25,-25.14,)| Show InChI InChI=1S/C25H40N2O2/c28-24-13-18-27(19-14-24)23-9-5-21(6-10-23)22-7-11-25(12-8-22)29-20-4-17-26-15-2-1-3-16-26/h7-8,11-12,21,23-24,28H,1-6,9-10,13-20H2/t21-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.570 | 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
(Homo sapiens (Human)) | BDBM50159110
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bioprojet-Biotech
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human histamine H3 receptor expressed in SK-N-MC cells |
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
(Homo sapiens (Human)) | BDBM50352101
(CHEMBL1824236)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(6.96,-10.59,;8.5,-10.59,;9.27,-9.26,;10.81,-9.26,;11.58,-10.6,;13.11,-10.61,;13.89,-9.28,;13.13,-7.94,;11.58,-7.93,;15.43,-9.29,;16.2,-10.64,;17.73,-10.65,;18.51,-9.32,;17.75,-7.98,;16.21,-7.96,;20.05,-9.33,;20.81,-10.68,;22.34,-10.69,;23.13,-9.37,;22.37,-8.03,;20.83,-8.01,;6.19,-9.25,;4.65,-9.25,;3.89,-10.58,;2.35,-10.58,;1.57,-9.25,;2.35,-7.92,;3.89,-7.92,)| Show InChI InChI=1S/C25H40N2O/c1-3-16-26(17-4-1)18-7-21-28-25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-19-5-2-6-20-27/h10-11,14-15,22,24H,1-9,12-13,16-21H2/t22-,24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | 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
(Homo sapiens (Human)) | BDBM50352079
(CHEMBL1824249)Show SMILES CCCCN[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:5.4,wD:8.11,(39.04,-38.4,;37.5,-38.39,;36.72,-39.72,;35.18,-39.7,;34.4,-41.03,;32.86,-41.01,;32.07,-42.34,;30.54,-42.33,;29.78,-40.99,;30.55,-39.66,;32.09,-39.67,;28.23,-40.97,;27.45,-42.3,;25.92,-42.3,;25.16,-40.95,;23.62,-40.95,;22.85,-42.28,;21.31,-42.28,;20.54,-40.95,;19,-40.95,;18.23,-42.27,;16.69,-42.27,;15.92,-40.95,;16.69,-39.61,;18.23,-39.61,;25.92,-39.63,;27.47,-39.64,)| Show InChI InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3/t21-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | 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
(Homo sapiens (Human)) | BDBM50352091
(CHEMBL1824240)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-3.9,-23.3,;-2.36,-23.3,;-1.59,-21.97,;-.05,-21.97,;.71,-23.31,;2.25,-23.32,;3.03,-21.99,;2.26,-20.65,;.71,-20.64,;4.57,-22,;5.33,-23.34,;6.86,-23.36,;7.65,-22.03,;6.89,-20.69,;5.34,-20.67,;9.19,-22.04,;9.94,-23.38,;11.47,-23.4,;12.26,-22.08,;11.5,-20.74,;9.96,-20.72,;-4.67,-21.96,;-6.21,-21.96,;-6.98,-23.29,;-8.52,-23.29,;-9.29,-21.96,;-8.52,-20.63,;-6.98,-20.63,)| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.670 | 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
(Homo sapiens (Human)) | BDBM50352089
(CHEMBL1824242)Show SMILES OC1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:10.14,7.7,(13.04,-26.41,;11.5,-26.39,;10.71,-27.72,;9.17,-27.7,;8.42,-26.36,;9.2,-25.03,;10.74,-25.05,;6.88,-26.34,;6.1,-27.67,;4.57,-27.66,;3.81,-26.32,;4.58,-24.99,;6.12,-25,;2.26,-26.3,;1.48,-27.63,;-.05,-27.62,;-.81,-26.28,;-2.35,-26.28,;-3.12,-27.61,;-4.66,-27.61,;-5.43,-26.28,;-6.97,-26.27,;-7.74,-27.6,;-9.27,-27.6,;-10.05,-26.27,;-9.27,-24.94,;-7.74,-24.94,;-.05,-24.96,;1.5,-24.96,)| Show InChI InChI=1S/C25H40N2O2/c28-24-13-18-27(19-14-24)23-9-5-21(6-10-23)22-7-11-25(12-8-22)29-20-4-17-26-15-2-1-3-16-26/h7-8,11-12,21,23-24,28H,1-6,9-10,13-20H2/t21-,23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.920 | 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
(Homo sapiens (Human)) | BDBM50352093
(CHEMBL1824238)Show SMILES CN1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:10.14,7.7,(12.69,-18.09,;11.15,-18.07,;10.36,-19.4,;8.83,-19.38,;8.07,-18.04,;8.85,-16.71,;10.39,-16.73,;6.53,-18.02,;5.75,-19.35,;4.22,-19.34,;3.46,-18,;4.23,-16.67,;5.77,-16.68,;1.91,-17.98,;1.13,-19.31,;-.4,-19.31,;-1.16,-17.96,;-2.7,-17.96,;-3.47,-19.29,;-5.01,-19.29,;-5.78,-17.96,;-7.32,-17.95,;-8.09,-19.28,;-9.63,-19.28,;-10.4,-17.95,;-9.63,-16.62,;-8.09,-16.62,;-.4,-16.63,;1.15,-16.64,)| Show InChI InChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3/t22-,24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.920 | 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) | BDBM50352096
(CHEMBL1824234)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.18,-6.04,;-3.64,-6.04,;-2.87,-4.71,;-1.33,-4.71,;-.56,-6.05,;.97,-6.06,;1.75,-4.73,;.98,-3.39,;-.56,-3.38,;3.29,-4.74,;4.05,-6.09,;5.59,-6.1,;6.37,-4.77,;5.61,-3.43,;4.07,-3.41,;7.91,-4.78,;8.81,-6.04,;10.27,-5.57,;10.29,-4.03,;8.83,-3.54,;-5.95,-4.7,;-7.49,-4.7,;-8.25,-6.03,;-9.79,-6.03,;-10.57,-4.7,;-9.79,-3.37,;-8.25,-3.37,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | 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) | BDBM50352101
(CHEMBL1824236)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(6.96,-10.59,;8.5,-10.59,;9.27,-9.26,;10.81,-9.26,;11.58,-10.6,;13.11,-10.61,;13.89,-9.28,;13.13,-7.94,;11.58,-7.93,;15.43,-9.29,;16.2,-10.64,;17.73,-10.65,;18.51,-9.32,;17.75,-7.98,;16.21,-7.96,;20.05,-9.33,;20.81,-10.68,;22.34,-10.69,;23.13,-9.37,;22.37,-8.03,;20.83,-8.01,;6.19,-9.25,;4.65,-9.25,;3.89,-10.58,;2.35,-10.58,;1.57,-9.25,;2.35,-7.92,;3.89,-7.92,)| Show InChI InChI=1S/C25H40N2O/c1-3-16-26(17-4-1)18-7-21-28-25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-19-5-2-6-20-27/h10-11,14-15,22,24H,1-9,12-13,16-21H2/t22-,24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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) | BDBM50352086
(CHEMBL1824245)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.26,-32.26,;22.8,-32.26,;23.57,-30.93,;25.11,-30.93,;25.87,-32.27,;27.41,-32.28,;28.19,-30.95,;27.42,-29.61,;25.88,-29.6,;29.73,-30.96,;30.49,-32.3,;32.02,-32.32,;32.81,-30.99,;32.05,-29.65,;30.5,-29.63,;34.35,-31,;35.24,-32.26,;36.71,-31.79,;38.03,-32.57,;39.37,-31.82,;39.38,-30.27,;38.06,-29.5,;36.72,-30.25,;35.26,-29.76,;20.49,-30.92,;18.95,-30.92,;18.18,-32.25,;16.64,-32.25,;15.87,-30.92,;16.64,-29.59,;18.18,-29.59,)| Show InChI InChI=1S/C28H38N2O/c1-4-17-29(18-5-1)19-6-20-31-28-15-11-24(12-16-28)23-9-13-27(14-10-23)30-21-25-7-2-3-8-26(25)22-30/h2-3,7-8,11-12,15-16,23,27H,1,4-6,9-10,13-14,17-22H2/t23-,27- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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) | BDBM50352097
(CHEMBL1824233)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.79,-1.47,;18.33,-1.47,;19.11,-.14,;20.65,-.14,;21.41,-1.49,;22.94,-1.49,;23.72,-.16,;22.96,1.17,;21.41,1.18,;25.27,-.18,;26.03,-1.52,;27.56,-1.53,;28.34,-.2,;27.58,1.14,;26.04,1.15,;29.88,-.22,;30.96,-1.32,;32.06,-.24,;30.98,.86,;16.03,-.14,;14.49,-.14,;13.72,-1.46,;12.18,-1.46,;11.41,-.14,;12.18,1.2,;13.72,1.2,)| Show InChI InChI=1S/C23H36N2O/c1-2-14-24(15-3-1)16-5-19-26-23-12-8-21(9-13-23)20-6-10-22(11-7-20)25-17-4-18-25/h8-9,12-13,20,22H,1-7,10-11,14-19H2/t20-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
(Homo sapiens (Human)) | BDBM50352100
(CHEMBL1824229)Show InChI InChI=1S/C20H29NO2/c22-19-9-5-17(6-10-19)18-7-11-20(12-8-18)23-16-4-15-21-13-2-1-3-14-21/h7-8,11-12,17H,1-6,9-10,13-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | 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) | BDBM50352084
(CHEMBL1824247)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)NCc1ccccc1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(-6.54,-1.94,;-5,-1.94,;-4.23,-.6,;-2.69,-.6,;-1.93,-1.95,;-.39,-1.96,;.39,-.63,;-.38,.71,;-1.92,.72,;1.93,-.63,;2.69,-1.98,;4.22,-1.99,;5,-.67,;4.24,.68,;2.7,.69,;6.54,-.67,;7.31,.66,;8.85,.66,;9.62,-.68,;11.16,-.68,;11.93,.65,;11.15,1.99,;9.62,1.98,;-7.31,-.6,;-8.85,-.6,;-9.62,-1.93,;-11.16,-1.93,;-11.93,-.6,;-11.16,.73,;-9.62,.73,)| Show InChI InChI=1S/C27H38N2O/c1-3-8-23(9-4-1)22-28-26-14-10-24(11-15-26)25-12-16-27(17-13-25)30-21-7-20-29-18-5-2-6-19-29/h1,3-4,8-9,12-13,16-17,24,26,28H,2,5-7,10-11,14-15,18-22H2/t24-,26- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | 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) | BDBM50352092
(CHEMBL1824239)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:7.7,wD:10.14,(38.82,-17.68,;37.28,-17.66,;36.49,-18.99,;34.95,-18.97,;34.2,-17.63,;34.98,-16.3,;36.52,-16.32,;32.66,-17.61,;31.88,-18.94,;30.34,-18.93,;29.58,-17.59,;30.35,-16.26,;31.9,-16.27,;28.04,-17.57,;27.26,-18.9,;25.73,-18.89,;24.96,-17.55,;23.42,-17.55,;22.65,-18.88,;21.11,-18.88,;20.34,-17.54,;18.8,-17.54,;18.04,-18.87,;16.5,-18.87,;15.72,-17.54,;16.5,-16.21,;18.04,-16.21,;25.73,-16.22,;27.27,-16.23,)| Show InChI InChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3/t22-,24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
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
(Homo sapiens (Human)) | BDBM50352083
(CHEMBL1824250)Show SMILES CN[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:2.1,wD:5.8,(11.63,-46.17,;10.84,-47.5,;9.3,-47.49,;8.52,-48.81,;6.99,-48.8,;6.23,-47.46,;7,-46.13,;8.54,-46.15,;4.68,-47.45,;3.9,-48.77,;2.37,-48.77,;1.61,-47.43,;.07,-47.42,;-.71,-48.76,;-2.25,-48.75,;-3.01,-47.42,;-4.55,-47.42,;-5.32,-48.74,;-6.86,-48.74,;-7.63,-47.42,;-6.86,-46.08,;-5.32,-46.08,;2.37,-46.1,;3.92,-46.11,)| Show InChI InChI=1S/C21H34N2O/c1-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-17-5-16-23-14-3-2-4-15-23/h8-9,12-13,18,20,22H,2-7,10-11,14-17H2,1H3/t18-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | 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
(Homo sapiens (Human)) | BDBM50352082
(CHEMBL1824251)Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1)S(=O)(=O)c1ccccc1 |r,wU:2.1,wD:5.8,(34.78,-44.7,;34,-46.03,;32.46,-46.02,;31.67,-47.34,;30.14,-47.33,;29.38,-45.99,;30.15,-44.66,;31.7,-44.68,;27.84,-45.98,;27.06,-47.3,;25.52,-47.3,;24.76,-45.96,;23.22,-45.95,;22.45,-47.29,;20.91,-47.28,;20.14,-45.95,;18.6,-45.95,;17.83,-47.27,;16.29,-47.27,;15.52,-45.95,;16.29,-44.61,;17.83,-44.61,;25.53,-44.63,;27.07,-44.64,;34.76,-47.37,;33.26,-47.76,;34.35,-48.85,;36.3,-47.38,;37.07,-46.06,;38.61,-46.08,;39.37,-47.42,;38.58,-48.75,;37.05,-48.73,)| Show InChI InChI=1S/C27H38N2O3S/c1-28(33(30,31)27-9-4-2-5-10-27)25-15-11-23(12-16-25)24-13-17-26(18-14-24)32-22-8-21-29-19-6-3-7-20-29/h2,4-5,9-10,13-14,17-18,23,25H,3,6-8,11-12,15-16,19-22H2,1H3/t23-,25- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50352079
(CHEMBL1824249)Show SMILES CCCCN[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:5.4,wD:8.11,(39.04,-38.4,;37.5,-38.39,;36.72,-39.72,;35.18,-39.7,;34.4,-41.03,;32.86,-41.01,;32.07,-42.34,;30.54,-42.33,;29.78,-40.99,;30.55,-39.66,;32.09,-39.67,;28.23,-40.97,;27.45,-42.3,;25.92,-42.3,;25.16,-40.95,;23.62,-40.95,;22.85,-42.28,;21.31,-42.28,;20.54,-40.95,;19,-40.95,;18.23,-42.27,;16.69,-42.27,;15.92,-40.95,;16.69,-39.61,;18.23,-39.61,;25.92,-39.63,;27.47,-39.64,)| Show InChI InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3/t21-,23- | 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 | 1.00E+3 | 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 2C9
(Homo sapiens (Human)) | BDBM50352084
(CHEMBL1824247)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)NCc1ccccc1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(-6.54,-1.94,;-5,-1.94,;-4.23,-.6,;-2.69,-.6,;-1.93,-1.95,;-.39,-1.96,;.39,-.63,;-.38,.71,;-1.92,.72,;1.93,-.63,;2.69,-1.98,;4.22,-1.99,;5,-.67,;4.24,.68,;2.7,.69,;6.54,-.67,;7.31,.66,;8.85,.66,;9.62,-.68,;11.16,-.68,;11.93,.65,;11.15,1.99,;9.62,1.98,;-7.31,-.6,;-8.85,-.6,;-9.62,-1.93,;-11.16,-1.93,;-11.93,-.6,;-11.16,.73,;-9.62,.73,)| Show InChI InChI=1S/C27H38N2O/c1-3-8-23(9-4-1)22-28-26-14-10-24(11-15-26)25-12-16-27(17-13-25)30-21-7-20-29-18-5-2-6-19-29/h1,3-4,8-9,12-13,16-17,24,26,28H,2,5-7,10-11,14-15,18-22H2/t24-,26- | 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 | 1.00E+3 | 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 2C9
(Homo sapiens (Human)) | BDBM50352080
(CHEMBL1824248)Show SMILES CCCCN[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:8.11,5.4,(13.77,-38.89,;12.23,-38.87,;11.45,-40.2,;9.91,-40.18,;9.13,-41.51,;7.59,-41.5,;6.8,-42.82,;5.27,-42.81,;4.51,-41.47,;5.28,-40.14,;6.82,-40.16,;2.96,-41.46,;2.18,-42.79,;.65,-42.78,;-.11,-41.44,;-1.65,-41.43,;-2.42,-42.77,;-3.96,-42.76,;-4.73,-41.43,;-6.27,-41.43,;-7.04,-42.75,;-8.58,-42.75,;-9.35,-41.43,;-8.58,-40.09,;-7.04,-40.09,;.65,-40.11,;2.2,-40.12,)| Show InChI InChI=1S/C24H40N2O/c1-2-3-16-25-23-12-8-21(9-13-23)22-10-14-24(15-11-22)27-20-7-19-26-17-5-4-6-18-26/h10-11,14-15,21,23,25H,2-9,12-13,16-20H2,1H3/t21-,23+ | 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 | 1.00E+3 | 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 2C9
(Homo sapiens (Human)) | BDBM50352081
(CHEMBL1824230)Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+ | 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 | 1.13E+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 2C9
(Homo sapiens (Human)) | BDBM50352095
(CHEMBL1824235)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23- | 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 | 1.53E+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 2C9
(Homo sapiens (Human)) | BDBM50352096
(CHEMBL1824234)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.18,-6.04,;-3.64,-6.04,;-2.87,-4.71,;-1.33,-4.71,;-.56,-6.05,;.97,-6.06,;1.75,-4.73,;.98,-3.39,;-.56,-3.38,;3.29,-4.74,;4.05,-6.09,;5.59,-6.1,;6.37,-4.77,;5.61,-3.43,;4.07,-3.41,;7.91,-4.78,;8.81,-6.04,;10.27,-5.57,;10.29,-4.03,;8.83,-3.54,;-5.95,-4.7,;-7.49,-4.7,;-8.25,-6.03,;-9.79,-6.03,;-10.57,-4.7,;-9.79,-3.37,;-8.25,-3.37,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23+ | 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 | 2.23E+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 2C9
(Homo sapiens (Human)) | BDBM50352099
(CHEMBL1824231)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21- | 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 | 4.07E+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 3A4
(Homo sapiens (Human)) | BDBM50352096
(CHEMBL1824234)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.18,-6.04,;-3.64,-6.04,;-2.87,-4.71,;-1.33,-4.71,;-.56,-6.05,;.97,-6.06,;1.75,-4.73,;.98,-3.39,;-.56,-3.38,;3.29,-4.74,;4.05,-6.09,;5.59,-6.1,;6.37,-4.77,;5.61,-3.43,;4.07,-3.41,;7.91,-4.78,;8.81,-6.04,;10.27,-5.57,;10.29,-4.03,;8.83,-3.54,;-5.95,-4.7,;-7.49,-4.7,;-8.25,-6.03,;-9.79,-6.03,;-10.57,-4.7,;-9.79,-3.37,;-8.25,-3.37,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23+ | 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 | 4.17E+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 3A4
(Homo sapiens (Human)) | BDBM50352099
(CHEMBL1824231)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21- | 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 | 4.26E+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
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 3A4
(Homo sapiens (Human)) | BDBM50352095
(CHEMBL1824235)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23- | 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 | 4.80E+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 3A4
(Homo sapiens (Human)) | BDBM50352081
(CHEMBL1824230)Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+ | 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 | 5.00E+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 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
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 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
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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50352099
(CHEMBL1824231)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21- | PDB
UniProtKB/SwissProt
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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50352095
(CHEMBL1824235)Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23- | PDB
UniProtKB/SwissProt
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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50352081
(CHEMBL1824230)Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)| Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+ | PDB
UniProtKB/SwissProt
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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50352096
(CHEMBL1824234)Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.18,-6.04,;-3.64,-6.04,;-2.87,-4.71,;-1.33,-4.71,;-.56,-6.05,;.97,-6.06,;1.75,-4.73,;.98,-3.39,;-.56,-3.38,;3.29,-4.74,;4.05,-6.09,;5.59,-6.1,;6.37,-4.77,;5.61,-3.43,;4.07,-3.41,;7.91,-4.78,;8.81,-6.04,;10.27,-5.57,;10.29,-4.03,;8.83,-3.54,;-5.95,-4.7,;-7.49,-4.7,;-8.25,-6.03,;-9.79,-6.03,;-10.57,-4.7,;-9.79,-3.37,;-8.25,-3.37,)| Show InChI InChI=1S/C24H38N2O/c1-2-15-25(16-3-1)17-6-20-27-24-13-9-22(10-14-24)21-7-11-23(12-8-21)26-18-4-5-19-26/h9-10,13-14,21,23H,1-8,11-12,15-20H2/t21-,23+ | PDB
UniProtKB/SwissProt
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 | |
Search and Browse
