Found 1380 hits Enz. Inhib. hit(s) with all data for entry = 7998 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 |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50371092
(CHEMBL427280)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)[C@@H]1CCOC1 Show InChI InChI=1S/C23H32O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h13-17,19H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,22+,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells |
J Med Chem 50: 3596-603 (2007)
Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126822
(1-(4-fluorobenzyl)-4-(2-(bis(4-fluorophenyl)methox...)Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C27H28F3NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]-dopamine uptake via rat dopamine receptor. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183544
(CHEMBL202644 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...)Show SMILES C[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA uptake |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50055879
(4-(2-Benzhydryloxy-ethyl)-1-(4-chloro-benzyl)-pipe...)Show SMILES Clc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30ClNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126385
(3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-pip...)Show SMILES OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H31F3N2O2/c29-24-8-4-21(5-9-24)28(22-6-10-25(30)11-7-22)35-19-18-33-16-14-32(15-17-33)13-12-27(34)23-2-1-3-26(31)20-23/h1-11,20,27-28,34H,12-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50189138
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r| Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
The University of Iowa
Curated by ChEMBL
| Assay Description Displacement of [125]OXY from kappa opioid receptor |
J Nat Prod 69: 914-8 (2006)
Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50056568
(1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H28F2N2OS/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)33-18-17-31-13-15-32(16-14-31)20-26-19-23-3-1-2-4-27(23)34-26/h1-12,19,28H,13-18,20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126384
(3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-(3-...)Show SMILES OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H33FN2O2/c29-26-13-7-12-25(22-26)27(32)14-15-30-16-18-31(19-17-30)20-21-33-28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,22,27-28,32H,14-21H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]-dopamine uptake via rat dopamine receptor. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50123388
((R)-3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}...)Show SMILES O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-21-20-32-18-16-31(17-19-32)15-14-27(33)22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity for dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 553-6 (2003)
BindingDB Entry DOI: 10.7270/Q2J102JX |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50199746
((S)-3-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)pip...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2Cc3ccccc3CN2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H34F2N2O/c31-27-9-5-23(6-10-27)30(24-7-11-28(32)12-8-24)35-18-15-22-13-16-34(17-14-22)21-29-19-25-3-1-2-4-26(25)20-33-29/h1-12,22,29-30,33H,13-21H2/t29-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50055876
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...)Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183543
((R)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)Show SMILES O[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50108815
(4-(2-Benzhydryloxy-ethyl)-1-(4-iodo-benzyl)-piperi...)Show SMILES Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30INO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]-dopamine uptake via rat dopamine receptor. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118603
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50118603
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50055871
(4-(2-Benzhydryloxy-ethyl)-1-(4-bromo-benzyl)-piper...)Show SMILES Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30BrNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]-dopamine uptake via rat dopamine receptor. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50123380
((S)-1-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}...)Show SMILES C[C@@](O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H32F2N2O2/c1-28(33,24-5-3-2-4-6-24)21-32-17-15-31(16-18-32)19-20-34-27(22-7-11-25(29)12-8-22)23-9-13-26(30)14-10-23/h2-14,27,33H,15-21H2,1H3/t28-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity for dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 553-6 (2003)
BindingDB Entry DOI: 10.7270/Q2J102JX |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126816
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(4-m...)Show SMILES Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C28H31F2NO/c1-21-2-4-23(5-3-21)20-31-17-14-22(15-18-31)16-19-32-28(24-6-10-26(29)11-7-24)25-8-12-27(30)13-9-25/h2-13,22,28H,14-20H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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 |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126816
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(4-m...)Show SMILES Cc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C28H31F2NO/c1-21-2-4-23(5-3-21)20-31-17-14-22(15-18-31)16-19-32-28(24-6-10-26(29)11-7-24)25-8-12-27(30)13-9-25/h2-13,22,28H,14-20H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50098393
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)Show SMILES N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H30N2O/c29-21-24-11-13-25(14-12-24)22-30-18-15-23(16-19-30)17-20-31-28(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-14,23,28H,15-20,22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50083224
(3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-phe...)Show SMILES OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H34N2O2/c31-27(24-10-4-1-5-11-24)16-17-29-18-20-30(21-19-29)22-23-32-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,27-28,31H,16-23H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50496725
(CHEMBL3219933)Show SMILES [H][C@]1(CCCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,25-,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis |
Medchemcomm 2: 1217-1222 (2011)
Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183537
((S)-(+)-1-(2-amino-3-phenylpropyl)-4-[2-[bis-(4-fl...)Show SMILES N[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H34F2N2O/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-33(18-15-22)21-28(32)20-23-4-2-1-3-5-23/h1-13,22,28-29H,14-21,32H2/t28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50056551
(1-(benzofuran-2-ylmethyl)-4-(2-(bis(4-fluorophenyl...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H28F2N2O2/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)33-18-17-31-13-15-32(16-14-31)20-26-19-23-3-1-2-4-27(23)34-26/h1-12,19,28H,13-18,20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22200
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3,4-dih...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C30H32F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-4,7-14,21,30H,5-6,15-20,22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22200
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3,4-dih...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C30H32F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-4,7-14,21,30H,5-6,15-20,22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50055871
(4-(2-Benzhydryloxy-ethyl)-1-(4-bromo-benzyl)-piper...)Show SMILES Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30BrNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50496728
(CHEMBL3219937)Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@H](C)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14-,16+,17+,18+,19+,21+,24+,25+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis |
Medchemcomm 2: 1217-1222 (2011)
Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50064816
(2-(4-tert-Butyl-2-methyl-benzyl)-4,5-dihydro-1H-im...)Show InChI InChI=1S/C15H22N2/c1-11-9-13(15(2,3)4)6-5-12(11)10-14-16-7-8-17-14/h5-6,9H,7-8,10H2,1-4H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand |
J Med Chem 41: 2243-51 (1998)
Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126820
(1-(4-nitrobenzyl)-4-(2-(bis(4-fluorophenyl)methoxy...)Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C27H28F2N2O3/c28-24-7-3-22(4-8-24)27(23-5-9-25(29)10-6-23)34-18-15-20-13-16-30(17-14-20)19-21-1-11-26(12-2-21)31(32)33/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]-dopamine uptake via rat dopamine receptor. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183536
((R)-(-)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...)Show SMILES O[C@@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(22-25-10-4-1-5-11-25)23-30-19-16-24(17-20-30)18-21-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]-dopamine uptake via rat dopamine receptor. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50108815
(4-(2-Benzhydryloxy-ethyl)-1-(4-iodo-benzyl)-piperi...)Show SMILES Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30INO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126383
(3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-pip...)Show SMILES OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1cccs1 Show InChI InChI=1S/C26H30F2N2O2S/c27-22-7-3-20(4-8-22)26(21-5-9-23(28)10-6-21)32-18-17-30-15-13-29(14-16-30)12-11-24(31)25-2-1-19-33-25/h1-10,19,24,26,31H,11-18H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126352
((1R,2S)-2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl...)Show SMILES COc1ccc2[C@H](O)[C@H](CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1 Show InChI InChI=1S/C31H36F2N2O3/c1-37-28-12-13-29-24(20-28)2-3-25(30(29)36)21-35-16-14-34(15-17-35)18-19-38-31(22-4-8-26(32)9-5-22)23-6-10-27(33)11-7-23/h4-13,20,25,30-31,36H,2-3,14-19,21H2,1H3/t25-,30+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Iowa
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from kappa opioid receptor |
J Nat Prod 74: 718-26 (2011)
Article DOI: 10.1021/np1007872 BindingDB Entry DOI: 10.7270/Q2PR7W9V |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem 20: 3100-10 (2012)
Article DOI: 10.1016/j.bmc.2012.02.040 BindingDB Entry DOI: 10.7270/Q27H1KK0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126356
(3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-(4-...)Show SMILES OC(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C28H33BrN2O2/c29-26-13-11-23(12-14-26)27(32)15-16-30-17-19-31(20-18-30)21-22-33-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,32H,15-22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126819
(1-(4-methoxybenzyl)-4-(2-(bis(4-fluorophenyl)metho...)Show SMILES COc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C28H31F2NO2/c1-32-27-12-2-22(3-13-27)20-31-17-14-21(15-18-31)16-19-33-28(23-4-8-25(29)9-5-23)24-6-10-26(30)11-7-24/h2-13,21,28H,14-20H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126819
(1-(4-methoxybenzyl)-4-(2-(bis(4-fluorophenyl)metho...)Show SMILES COc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C28H31F2NO2/c1-32-27-12-2-22(3-13-27)20-31-17-14-21(15-18-31)16-19-33-28(23-4-8-25(29)9-5-23)24-6-10-26(30)11-7-24/h2-13,21,28H,14-20H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183544
(CHEMBL202644 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...)Show SMILES C[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50056571
(1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H30F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-14,21,30H,15-20,22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070096
(CHEMBL298489)Show SMILES [H][C@]12Oc3c4c(CC5C([C@@H](C)c6c1[nH]c1ccccc61)C24CCN5C(C)C=C)ccc3O |TLB:3:4:8:23.21.22| Show InChI InChI=1S/C16H14N2O2/c1-20-11-2-3-12-13(9-11)15(17)14(16(12)19)8-10-4-6-18-7-5-10/h2-7,9,14,17H,8H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity for delta opioid receptor by displacing [3H]DADL was determined |
Bioorg Med Chem Lett 12: 165-8 (2001)
BindingDB Entry DOI: 10.7270/Q2S181T9 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50199741
((R)-3-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)pip...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2Cc3ccccc3CN2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H34F2N2O/c31-27-9-5-23(6-10-27)30(24-7-11-28(32)12-8-24)35-18-15-22-13-16-34(17-14-22)21-29-19-25-3-1-2-4-26(25)20-33-29/h1-12,22,29-30,33H,13-21H2/t29-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM85804
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| US Patent
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Board of Trustees of the University of Arkansas; The University of Kansas
US Patent
| Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai... |
US Patent US9416103 (2016)
BindingDB Entry DOI: 10.7270/Q2HX1BKQ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM85804
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min... |
J Med Chem 56: 4537-50 (2013)
Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50049365
(1-Benzyl-4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethy...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-16-21-14-17-30(18-15-21)20-22-4-2-1-3-5-22/h1-13,21,27H,14-20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50049365
(1-Benzyl-4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethy...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-16-21-14-17-30(18-15-21)20-22-4-2-1-3-5-22/h1-13,21,27H,14-20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50376847
(CHEMBL260121)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cc3ccccc3o2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C30H30O9/c1-29-10-8-18-27(33)39-23(17-9-11-36-15-17)14-30(18,2)25(29)24(31)21(13-19(29)26(32)35-3)38-28(34)22-12-16-6-4-5-7-20(16)37-22/h4-7,9,11-12,15,18-19,21,23,25H,8,10,13-14H2,1-3H3/t18-,19-,21-,23-,25-,29-,30-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa
Curated by ChEMBL
| Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells |
J Med Chem 51: 2421-31 (2008)
Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 |
More data for this Ligand-Target Pair | |