Found 321 hits with Last Name = 'cunningham' and Initial = 'a' 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
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| 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
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| 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
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| 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
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| 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
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| 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 | |
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
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| 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
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| 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 | |
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
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| 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
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| 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)) | 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
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| 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 | |
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
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| 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 | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50503346
(CHEMBL4560254)Show SMILES [H][C@@]1(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)[C@H](NC(=O)[C@@H]1C[C@H](CCCCCCCCCCC)CCN1)[C@H](C)Cl |r| Show InChI InChI=1S/C26H49ClN2O5S/c1-4-5-6-7-8-9-10-11-12-13-18-14-15-28-19(16-18)25(33)29-20(17(2)27)24-22(31)21(30)23(32)26(34-24)35-3/h17-24,26,28,30-32H,4-16H2,1-3H3,(H,29,33)/t17-,18+,19-,20+,21-,22+,23+,24+,26+/m0/s1 | PDB
Reactome pathway KEGG
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| PC cid PC sid UniChem
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Positive allosteric modulation of 5-HT2C receptor (unknown origin) assessed as increase in 5-HT-induced displacement of [3H]mesulergine by measuring ... |
J Med Chem 62: 88-127 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00875 BindingDB Entry DOI: 10.7270/Q2PR8081 |
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
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| 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
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| 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 | |
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
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| 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
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| 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 | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50161646
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity at 5-HT2CR (unknown origin) |
J Med Chem 62: 288-305 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00401 BindingDB Entry DOI: 10.7270/Q20868KK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| 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
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| 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
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| 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)) | 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
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| 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
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| 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 | |
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
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| 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 | |
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
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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 | |
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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50161646
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity at 5-HT2AR (unknown origin) |
J Med Chem 62: 288-305 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00401 BindingDB Entry DOI: 10.7270/Q20868KK |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50161646
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity at 5-HT2BR (unknown origin) |
J Med Chem 62: 288-305 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00401 BindingDB Entry DOI: 10.7270/Q20868KK |
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 | |
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
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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
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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 | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50503222
(CHEMBL4454100)Show SMILES CCCCCCCCCCC[C@@H]1CCN[C@@H](C1)C(=O)NCC(O)CO |r| Show InChI InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-21-19(14-17)20(25)22-15-18(24)16-23/h17-19,21,23-24H,2-16H2,1H3,(H,22,25)/t17-,18?,19+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-WIN35428 from recombinant human DAT expressed in HEK cell membranes after 90 mins by scintillation counting method |
J Med Chem 62: 288-305 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00401 BindingDB Entry DOI: 10.7270/Q20868KK |
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
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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
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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)) | BDBM50544002
(CHEMBL4633717)Show SMILES OC[C@@H](O)CNC(=O)[C@@H]1C[C@@H](CCN1)c1ccccc1 |r| Show InChI InChI=1S/C15H22N2O3/c18-10-13(19)9-17-15(20)14-8-12(6-7-16-14)11-4-2-1-3-5-11/h1-5,12-14,16,18-19H,6-10H2,(H,17,20)/t12-,13+,14+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Medical Branch
Curated by ChEMBL
| Assay Description Displacement of [3H]-nisoxetine from human NET stably expressed in HEK cell membranes incubated for 90 mins under dark condition by scintillation cou... |
J Med Chem 63: 7529-7544 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01953 BindingDB Entry DOI: 10.7270/Q280565Q |
More data for this Ligand-Target Pair | |
Eukaryotic initiation factor 4A-I
(Homo sapiens (Human)) | CHEMBL5278302
| PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | 4.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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
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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 | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50503222
(CHEMBL4454100)Show SMILES CCCCCCCCCCC[C@@H]1CCN[C@@H](C1)C(=O)NCC(O)CO |r| Show InChI InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-21-19(14-17)20(25)22-15-18(24)16-23/h17-19,21,23-24H,2-16H2,1H3,(H,22,25)/t17-,18?,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3R expressed in HEK cell membranes after 90 mins by scintillation counting method |
J Med Chem 62: 288-305 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00401 BindingDB Entry DOI: 10.7270/Q20868KK |
More data for this Ligand-Target Pair | |
Eukaryotic initiation factor 4A-I
(Homo sapiens (Human)) | CHEMBL5278302
| PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Eukaryotic initiation factor 4A-I
(Homo sapiens (Human)) | CHEMBL5267864
| PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | 9.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50554937
(CHEMBL4780654)Show SMILES OCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 5-HT2C (unknown origin) assessed as inhibition of ligand binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01498 BindingDB Entry DOI: 10.7270/Q22N55XV |
More data for this Ligand-Target Pair | |
Eukaryotic initiation factor 4A-I
(Homo sapiens (Human)) | CHEMBL5267864
| PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50108639
(CHEMBL3596448)Show SMILES COc1ccc(cc1CO[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O2/c1-30-17-10-9-16(29-20(21(22,23)24)26-27-28-29)12-15(17)13-31-18-8-5-11-25-19(18)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19,25H,5,8,11,13H2,1H3/t18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting... |
Bioorg Med Chem Lett 25: 3039-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.098 BindingDB Entry DOI: 10.7270/Q24M9690 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50108638
(CHEMBL3596447)Show SMILES COc1ccc(cc1CO[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C |r| Show InChI InChI=1S/C21H25N5O2/c1-15-23-24-25-26(15)18-10-11-19(27-2)17(13-18)14-28-20-9-6-12-22-21(20)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,20-22H,6,9,12,14H2,1-2H3/t20-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting... |
Bioorg Med Chem Lett 25: 3039-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.098 BindingDB Entry DOI: 10.7270/Q24M9690 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50108631
(CHEMBL3596446)Show SMILES COc1ccc(cc1CO[C@H]1CCCN[C@H]1c1ccccc1)-n1cnnn1 |r| Show InChI InChI=1S/C20H23N5O2/c1-26-18-10-9-17(25-14-22-23-24-25)12-16(18)13-27-19-8-5-11-21-20(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,19-21H,5,8,11,13H2,1H3/t19-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting... |
Bioorg Med Chem Lett 25: 3039-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.098 BindingDB Entry DOI: 10.7270/Q24M9690 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50220136
(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting... |
Bioorg Med Chem Lett 25: 3039-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.098 BindingDB Entry DOI: 10.7270/Q24M9690 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50503347
(CHEMBL4442431)Show SMILES [Na;v0+].[#6]-[#6@@H](-[#6](=O)-[#7-]S([#6])(=O)=O)-c1ccc(-[#8]S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C11H12F3NO6S2.Na/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14;/h3-7H,1-2H3,(H,15,16);/q;+1/p-1/t7-;/m1./s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CXCR1 (unknown origin) |
J Med Chem 62: 88-127 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00875 BindingDB Entry DOI: 10.7270/Q2PR8081 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50503347
(CHEMBL4442431)Show SMILES [Na;v0+].[#6]-[#6@@H](-[#6](=O)-[#7-]S([#6])(=O)=O)-c1ccc(-[#8]S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C11H12F3NO6S2.Na/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14;/h3-7H,1-2H3,(H,15,16);/q;+1/p-1/t7-;/m1./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CXCR2 (unknown origin) |
J Med Chem 62: 88-127 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00875 BindingDB Entry DOI: 10.7270/Q2PR8081 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Rattus norvegicus) | BDBM50434850
(CHEMBL2387397)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50106365
(CHEMBL3596492)Show SMILES CN1CCC(COCc2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)(CC1)c1ccccc1 Show InChI InChI=1S/C28H27F3N2O/c1-33-13-11-27(12-14-33,25-5-3-2-4-6-25)20-34-19-22-15-24(17-26(16-22)28(29,30)31)23-9-7-21(18-32)8-10-23/h2-10,15-17H,11-14,19-20H2,1H3 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description Binding affinity to human NK1 receptor |
Bioorg Med Chem Lett 25: 3039-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.098 BindingDB Entry DOI: 10.7270/Q24M9690 |
More data for this Ligand-Target Pair | |