Found 918 hits with Last Name = 'lodge' and Initial = 'nj' 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 |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173710
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-13(11)14-8-17-15-10(7-16)4-3-5-12(14)15/h3-5,8,11,13,17H,6,9H2,1-2H3/t11-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50206243
(CHEMBL3918431)Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma countin... |
ACS Med Chem Lett 8: 366-371 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50395823
(CHEMBL2165205)Show SMILES COCCN(CCOC)Cc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(25.82,-9.73,;27.14,-10.52,;27.12,-12.06,;25.77,-12.81,;25.76,-14.34,;27.09,-15.12,;28.43,-14.35,;29.76,-15.12,;31.1,-14.36,;24.43,-15.12,;24.44,-16.66,;23.11,-17.43,;23.11,-18.97,;21.78,-19.74,;24.44,-19.74,;25.78,-18.97,;27.25,-19.46,;28.17,-18.2,;29.7,-18.19,;27.25,-16.94,;25.78,-17.42,;27.99,-20.8,;27.19,-22.11,;27.92,-23.47,;29.46,-23.5,;30.21,-24.85,;30.26,-22.17,;29.52,-20.83,;30.32,-19.51,)| Show InChI InChI=1S/C21H26Cl2N4O2/c1-14-11-17(13-26(7-9-28-3)8-10-29-4)27-21(24-14)20(15(2)25-27)18-6-5-16(22)12-19(18)23/h5-6,11-12H,7-10,13H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Binding affinity to CRFR1 by autoradiography |
Bioorg Med Chem Lett 22: 6651-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50152162
(CHEMBL188844 | CHEMBL2165204 | [3-(6-Dimethylamino...)Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1)N(C)C Show InChI InChI=1S/C21H30N6/c1-7-11-26(12-8-2)19-13-15(3)23-21-20(16(4)24-27(19)21)17-9-10-18(22-14-17)25(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Binding affinity to CRFR1 by autoradiography |
Bioorg Med Chem Lett 22: 6651-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM86192
(CAS_197801-88-0 | CHEMBL2165203 | SN003)Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Binding affinity to CRFR1 by autoradiography |
Bioorg Med Chem Lett 22: 6651-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173712
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1-et...)Show InChI InChI=1S/C17H21N3/c1-4-20-11-16(14-8-13(14)10-19(2)3)15-7-12(9-18)5-6-17(15)20/h5-7,11,13-14H,4,8,10H2,1-3H3/t13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50162700
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50395822
(CHEMBL1762817)Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)| Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Binding affinity to CRFR1 by autoradiography |
Bioorg Med Chem Lett 22: 6651-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50395822
(CHEMBL1762817)Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)| Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to CRF1 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 2052-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.009 BindingDB Entry DOI: 10.7270/Q2DR2WW3 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173717
(((1S,2S)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl)-N,...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173717
(((1S,2S)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl)-N,...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50235306
(CHEMBL4084621)Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)| Show InChI InChI=1S/C16H19N7O/c1-4-22-5-2-12(1)16(9-22)8-18-15(24-16)21-13-7-14(20-10-19-13)23-6-3-17-11-23/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,18,19,20,21)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma counting ... |
ACS Med Chem Lett 8: 366-371 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50162708
(3-(5-fluoro-1H-indol-3-yl)-N,N-dimethylpropan-1-am...)Show InChI InChI=1S/C13H17FN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5-6,8-9,15H,3-4,7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50206243
(CHEMBL3918431)Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma counting ... |
ACS Med Chem Lett 8: 366-371 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173706
(3-((1R,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173713
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1-me...)Show InChI InChI=1S/C16H19N3/c1-18(2)9-12-7-13(12)15-10-19(3)16-5-4-11(8-17)6-14(15)16/h4-6,10,12-13H,7,9H2,1-3H3/t12-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173709
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-13(11)14-8-17-15-5-10(7-16)3-4-12(14)15/h3-5,8,11,13,17H,6,9H2,1-2H3/t11-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50235306
(CHEMBL4084621)Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)| Show InChI InChI=1S/C16H19N7O/c1-4-22-5-2-12(1)16(9-22)8-18-15(24-16)21-13-7-14(20-10-19-13)23-6-3-17-11-23/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,18,19,20,21)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma countin... |
ACS Med Chem Lett 8: 366-371 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173705
((-)3-((1R,2R)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173714
(CHEMBL364050 | [(1S,2S)-2-(7-Fluoro-1H-indol-3-yl)...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-6-11(9)12-7-16-14-10(12)4-3-5-13(14)15/h3-5,7,9,11,16H,6,8H2,1-2H3/t9-,11+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173711
((+)3-((1S,2R)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173703
((-)[(1R,2S)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173703
((-)[(1R,2S)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062397
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173701
(CHEMBL194960 | [(1S,2S)-2-(6-Fluoro-1H-indol-3-yl)...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-12(9)13-7-16-14-6-10(15)3-4-11(13)14/h3-4,6-7,9,12,16H,5,8H2,1-2H3/t9-,12+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173704
((-)[(1R,2R)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062402
(1N-cyanoimino(tert-pentylamino)methyl-3-azido-4-io...)Show SMILES CCC(C)(C)NC(Nc1ccc(I)c(c1)N=[N+]=[N-])=NC#N |w:18.19| Show InChI InChI=1S/C13H16IN7/c1-4-13(2,3)19-12(17-8-15)18-9-5-6-10(14)11(7-9)20-21-16/h5-7H,4H2,1-3H3,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173716
(CHEMBL194909 | [(1S,2S)-2-(4-Fluoro-1H-indol-3-yl)...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-6-10(9)11-7-16-13-5-3-4-12(15)14(11)13/h3-5,7,9-10,16H,6,8H2,1-2H3/t9-,10+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062394
(1N-cyanoimino(tert-pentylamino)methyl-4-iodoanilin...)Show InChI InChI=1S/C13H17IN4/c1-4-13(2,3)18-12(16-9-15)17-11-7-5-10(14)6-8-11/h5-8H,4H2,1-3H3,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human norepinephrine transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062396
(4-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)Show SMILES CC(NC(Nc1ccc(cc1)C#N)=NC#N)C(C)(C)C |w:13.14| Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-12(9-16)6-8-13/h5-8,11H,1-4H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173707
((+)[(1S,2R)-2-(5-Fluoro-1H-indol-3-yl)-cyclopropyl...)Show InChI InChI=1S/C14H17FN2/c1-17(2)8-9-5-11(9)13-7-16-14-4-3-10(15)6-12(13)14/h3-4,6-7,9,11,16H,5,8H2,1-2H3/t9-,11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062398
(4-cyanoimino(tert-pentylamino)methylaminobenzonitr...)Show InChI InChI=1S/C14H17N5/c1-4-14(2,3)19-13(17-10-16)18-12-7-5-11(9-15)6-8-12/h5-8H,4H2,1-3H3,(H2,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173702
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)13-8-17-14-5-3-4-10(7-16)15(13)14/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50173702
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)13-8-17-14-5-3-4-10(7-16)15(13)14/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human serotonin transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50240750
(()-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylprop...)Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062393
(3-cyanoimino(1,2,2-trimethylpropylamino)methylamin...)Show SMILES CC(NC(Nc1cccc(c1)C#N)=NC#N)C(C)(C)C |w:13.14| Show InChI InChI=1S/C15H19N5/c1-11(15(2,3)4)19-14(18-10-17)20-13-7-5-6-12(8-13)9-16/h5-8,11H,1-4H3,(H2,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human dopamine transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human norepinephrine transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062399
(4-[tert-butylamino(cyanoimino)methylamino]benzonit...)Show InChI InChI=1S/C13H15N5/c1-13(2,3)18-12(16-9-15)17-11-6-4-10(8-14)5-7-11/h4-7H,1-3H3,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062400
(1N-cyanoimino(1,2,2-trimethylpropylamino)methylani...)Show InChI InChI=1S/C14H20N4/c1-11(14(2,3)4)17-13(16-10-15)18-12-8-6-5-7-9-12/h5-9,11H,1-4H3,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human dopamine transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding inhibition towards human dopamine transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50173715
((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro binding affinity towards human norepinephrine transporter |
J Med Chem 48: 6023-34 (2005)
Article DOI: 10.1021/jm0503291 BindingDB Entry DOI: 10.7270/Q2PN96DN |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50062392
(4-isopropylamino(cyanoimino)methylaminobenzonitril...)Show InChI InChI=1S/C12H13N5/c1-9(2)16-12(15-8-14)17-11-5-3-10(7-13)4-6-11/h3-6,9H,1-2H3,(H2,15,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of [3H]-P1075 from its binding sites in canine cardiac membranes |
J Med Chem 41: 271-5 (1998)
Article DOI: 10.1021/jm970762d BindingDB Entry DOI: 10.7270/Q2FN159P |
More data for this Ligand-Target Pair | |