Found 1502 hits with Last Name = 'decker' and Initial = 'am' 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 dopamine transporter
(Homo sapiens (Human)) | BDBM50302924
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50581019
(CHEMBL5089949)Show SMILES COC(=O)c1ccc(CCNC(=N)N\N=C\c2c[nH]c3c(C)cc(cc23)C#N)cc1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01081 BindingDB Entry DOI: 10.7270/Q2ZK5MJP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302927
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302913
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50064751
(CHEMBL3403780)Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CN)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H32N2O2/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-24)25-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22H,4,8,15-16,24H2,1-3H3,(H,25,26)/t17?,18-,22-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | 219 | 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 | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50554975
(CHEMBL4595209)Show SMILES COCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| | 224 | 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 | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50581009
(CHEMBL5094670)Show SMILES COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3ccc(cc3)C#N)c2c1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01081 BindingDB Entry DOI: 10.7270/Q2ZK5MJP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 272 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50526409
(CHEMBL4522365)Show SMILES CCc1cc(O)cc2c(\C=N\NC(=N)NCCc3ccc(Cl)cc3)c[nH]c12 Show InChI InChI=1S/C20H22ClN5O/c1-2-14-9-17(27)10-18-15(11-24-19(14)18)12-25-26-20(22)23-8-7-13-3-5-16(21)6-4-13/h3-6,9-12,24,27H,2,7-8H2,1H3,(H3,22,23,26)/b25-12+ | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| 274 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01081 BindingDB Entry DOI: 10.7270/Q2ZK5MJP |
More data for this Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50065915
(CHEMBL3401461)Show SMILES CCCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| Show InChI InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB
| 277 | 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 | 3D Structure (crystal) |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302914
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 278 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302932
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 343 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302931
(2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...)Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118105
(CHEMBL3613443)Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C26H34FN3O2/c1-17(2)25(16-30-10-8-18(9-11-30)19-4-3-5-22(27)12-19)29-26(32)24-14-20-6-7-23(31)13-21(20)15-28-24/h3-7,12-13,17-18,24-25,28,31H,8-11,14-16H2,1-2H3,(H,29,32)/t24-,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 436 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025 BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302929
(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 459 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302918
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 472 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50610306
(CHEMBL5285428) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| UniChem
| | 487 | 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 dopamine transporter
(Homo sapiens (Human)) | BDBM50302909
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50302924
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 601 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Probable G-protein coupled receptor 88
(Homo sapiens (Human)) | BDBM50064645
(CHEMBL3403768)Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | 612 | 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 dopamine transporter
(Homo sapiens (Human)) | BDBM50302921
(2-(N-tert-Butylamino)-3'-chloroheptanophenone | CH...)Show InChI InChI=1S/C17H26ClNO/c1-5-6-7-11-15(19-17(2,3)4)16(20)13-9-8-10-14(18)12-13/h8-10,12,15,19H,5-7,11H2,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 709 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50506615
(CHEMBL4452474)Show SMILES Cl.Cl.COCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| Show InChI InChI=1S/C28H33N3O3.2ClH/c1-19(34-3)26(29)17-31(28(32)25-16-24(25)27-6-4-5-15-30-27)23-13-11-22(12-14-23)21-9-7-20(8-10-21)18-33-2;;/h4-15,19,24-26H,16-18,29H2,1-3H3;2*1H/t19-,24-,25-,26-;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-Paroxetine from recombinant human full length SERT after 60 mins by scintillation counting |
J Med Chem 61: 6748-6758 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00566 BindingDB Entry DOI: 10.7270/Q2H1358D |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118112
(CHEMBL3613444)Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1ccccc1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C26H35N3O2/c1-18(2)25(17-29-12-10-20(11-13-29)19-6-4-3-5-7-19)28-26(31)24-15-21-8-9-23(30)14-22(21)16-27-24/h3-9,14,18,20,24-25,27,30H,10-13,15-17H2,1-2H3,(H,28,31)/t24-,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 777 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025 BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302924
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 842 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302914
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 871 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50023181
(CHEMBL3298876)Show InChI InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description Inhibition of DAT (unknown origin)-mediated dopamine reuptake |
ACS Med Chem Lett 5: 623-7 (2014)
Article DOI: 10.1021/ml500113s BindingDB Entry DOI: 10.7270/Q2FN17SS |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302928
(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302917
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302907
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50302927
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302922
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302918
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118110
(CHEMBL3613449)Show SMILES CCC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H38FN3O2/c1-4-19(2)26(31-27(34)25-15-20-8-9-24(33)14-21(20)17-30-25)18-32-12-10-28(3,11-13-32)22-6-5-7-23(29)16-22/h5-9,14,16,19,25-26,30,33H,4,10-13,15,17-18H2,1-3H3,(H,31,34)/t19?,25-,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025 BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302923
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...)Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118111
(CHEMBL3613442)Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025 BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302922
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50302932
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302910
(1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...)Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302917
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302911
(2-(N-tert-Butylamino)-4'-chloropropiophenone | 2-(...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302916
(1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...)Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50302915
(2-(N,N-Diethylamino)-3'-chloropropiophenone | CHEM...)Show InChI InChI=1S/C13H18ClNO/c1-4-15(5-2)10(3)13(16)11-7-6-8-12(14)9-11/h6-10H,4-5H2,1-3H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50302914
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50506615
(CHEMBL4452474)Show SMILES Cl.Cl.COCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)OC)C(=O)[C@@H]1C[C@H]1c1ccccn1 |r| Show InChI InChI=1S/C28H33N3O3.2ClH/c1-19(34-3)26(29)17-31(28(32)25-16-24(25)27-6-4-5-15-30-27)23-13-11-22(12-14-23)21-9-7-20(8-10-21)18-33-2;;/h4-15,19,24-26H,16-18,29H2,1-3H3;2*1H/t19-,24-,25-,26-;;/m1../s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| Article PubMed
| 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Binding affinity to human full length KOR after 60 mins by radioligand-based scintillation counting |
J Med Chem 61: 6748-6758 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00566 BindingDB Entry DOI: 10.7270/Q2H1358D |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50302913
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |
Relaxin-3 receptor 1
(Homo sapiens (Human)) | BDBM50526408
(CHEMBL4586446)Show SMILES COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3ccc(Cl)c(Cl)c3)c2c1 Show InChI InChI=1S/C20H21Cl2N5O/c1-12-7-15(28-2)9-16-14(10-25-19(12)16)11-26-27-20(23)24-6-5-13-3-4-17(21)18(22)8-13/h3-4,7-11,25H,5-6H2,1-2H3,(H3,23,24,27)/b26-11+ | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01081 BindingDB Entry DOI: 10.7270/Q2ZK5MJP |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50302909
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells |
J Med Chem 52: 6768-81 (2009)
Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB |
More data for this Ligand-Target Pair | |