Found 274 hits with Last Name = 'zacco' 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 |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50130561
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50306587
(6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)p...)Show SMILES COC1(CCOCC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(-c4c(C)nn(C)c4C)c3o2)cn1 |(27.97,-16.65,;26.65,-17.44,;26.66,-18.99,;26.66,-20.53,;27.99,-21.29,;29.33,-20.52,;29.33,-18.98,;27.99,-18.21,;25.33,-18.23,;24,-19,;22.66,-18.23,;22.67,-16.69,;21.33,-15.93,;20,-16.7,;20,-18.24,;18.66,-15.93,;18.66,-14.39,;17.31,-13.61,;17.31,-12.07,;15.98,-14.4,;14.65,-13.63,;13.32,-14.4,;11.99,-13.63,;13.32,-15.95,;14.65,-16.72,;14.65,-18.27,;15.9,-19.17,;17.36,-18.7,;15.42,-20.64,;13.88,-20.64,;12.98,-21.89,;13.41,-19.17,;11.94,-18.7,;15.99,-15.94,;17.33,-16.71,;23.99,-15.92,;25.32,-16.68,)| Show InChI InChI=1S/C27H27FN4O5/c1-15-24(16(2)32(3)31-15)20-12-17(28)11-19-21(33)13-22(37-25(19)20)26(34)30-18-5-6-23(29-14-18)27(35-4)7-9-36-10-8-27/h5-6,11-14H,7-10H2,1-4H3,(H,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells |
J Med Chem 53: 1876-80 (2010)
Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50327257
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)-N-(3-(3...)Show SMILES O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCOCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1 Show InChI InChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50306591
(6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)p...)Show SMILES COC1(CCOCC1)c1ccc(NC(=O)C2CCc3cc(F)cc(-c4c(C)nn(C)c4C)c3O2)cn1 |(8.7,-32.23,;7.37,-33.01,;7.39,-34.56,;7.39,-36.1,;8.72,-36.86,;10.06,-36.09,;10.05,-34.55,;8.71,-33.78,;6.06,-33.8,;4.72,-34.57,;3.39,-33.8,;3.39,-32.26,;2.06,-31.5,;.73,-32.27,;.73,-33.81,;-.61,-31.5,;-.62,-29.96,;-1.96,-29.19,;-3.29,-29.97,;-4.62,-29.2,;-5.95,-29.98,;-7.29,-29.21,;-5.95,-31.52,;-4.62,-32.29,;-4.62,-33.84,;-3.38,-34.74,;-1.91,-34.27,;-3.85,-36.21,;-5.39,-36.21,;-6.3,-37.46,;-5.87,-34.75,;-7.33,-34.27,;-3.28,-31.52,;-1.94,-32.28,;4.71,-31.49,;6.05,-32.25,)| Show InChI InChI=1S/C27H31FN4O4/c1-16-24(17(2)32(3)31-16)21-14-19(28)13-18-5-7-22(36-25(18)21)26(33)30-20-6-8-23(29-15-20)27(34-4)9-11-35-12-10-27/h6,8,13-15,22H,5,7,9-12H2,1-4H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells |
J Med Chem 53: 1876-80 (2010)
Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50306588
(6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(4-(4-...)Show SMILES CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(N4CCN(C)CC4)c3o2)cc1 Show InChI InChI=1S/C28H32FN5O4/c1-3-26(36)34-14-12-32(13-15-34)21-6-4-20(5-7-21)30-28(37)25-18-24(35)22-16-19(29)17-23(27(22)38-25)33-10-8-31(2)9-11-33/h4-7,16-18H,3,8-15H2,1-2H3,(H,30,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells |
J Med Chem 53: 1876-80 (2010)
Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426352
(CHEMBL2321996)Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426355
(CHEMBL2321991)Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50021218
((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of NET in rat synaptosomal membrane |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426353
(CHEMBL2321993)Show InChI InChI=1S/C15H19NO2/c17-9-7-15(6-3-8-16-11-15)14-10-12-4-1-2-5-13(12)18-14/h1-2,4-5,10,16-17H,3,6-9,11H2/t15-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426357
(CHEMBL2326695)Show InChI InChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-8-18)5-1-2-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426352
(CHEMBL2321996)Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426357
(CHEMBL2326695)Show InChI InChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-8-18)5-1-2-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426351
(CHEMBL2321999)Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426353
(CHEMBL2321993)Show InChI InChI=1S/C15H19NO2/c17-9-7-15(6-3-8-16-11-15)14-10-12-4-1-2-5-13(12)18-14/h1-2,4-5,10,16-17H,3,6-9,11H2/t15-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426350
(CHEMBL2322000)Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50021218
((S)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoli...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426361
(CHEMBL2326691)Show InChI InChI=1S/C13H17Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h5-6,8,11H,2-4,7,9H2,1H3 | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426350
(CHEMBL2322000)Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m1/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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426358
(CHEMBL2326694)Show SMILES COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:6| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-8-18-7-3-2-4-13(11-18)12-5-6-14(16)15(17)10-12/h2-3,5-6,10,13H,4,7-9,11H2,1H3/t13-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50306590
(5-Methyl-4-oxo-8-(1H-pyrazol-4-yl)-1,4-dihydroquin...)Show SMILES Cc1n[nH]c(C)c1-c1ccc(C)c2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 |(-3.14,-20.26,;-4.6,-20.73,;-5.08,-22.2,;-6.62,-22.2,;-7.1,-20.74,;-8.56,-20.26,;-5.85,-19.83,;-5.85,-18.28,;-7.18,-17.51,;-7.18,-15.97,;-5.85,-15.2,;-5.86,-13.66,;-4.52,-15.96,;-3.19,-15.18,;-3.2,-13.64,;-1.84,-15.95,;-1.84,-17.5,;-3.17,-18.27,;-4.51,-17.51,;-.5,-18.26,;-.5,-19.8,;.83,-17.49,;2.16,-18.25,;2.16,-19.8,;3.5,-20.56,;4.83,-19.79,;4.82,-18.24,;3.48,-17.48,;6.17,-20.55,;6.16,-22.09,;7.49,-22.85,;8.83,-22.08,;8.82,-20.54,;7.49,-19.77,)| Show InChI InChI=1S/C26H27N5O3/c1-15-4-9-20(24-16(2)29-30-17(24)3)25-23(15)22(32)14-21(28-25)26(33)27-18-5-7-19(8-6-18)31-10-12-34-13-11-31/h4-9,14H,10-13H2,1-3H3,(H,27,33)(H,28,32)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells |
J Med Chem 53: 1876-80 (2010)
Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426355
(CHEMBL2321991)Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426349
(CHEMBL2322001)Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426360
(CHEMBL2326692)Show InChI InChI=1S/C12H15Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h4-5,7,10,15H,1-3,6,8H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50306589
((R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morp...)Show SMILES COc1cc2CC[C@@H](Oc2c(c1)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 |r| Show InChI InChI=1S/C26H34N4O4/c1-28-9-11-30(12-10-28)23-18-22(32-2)17-19-3-8-24(34-25(19)23)26(31)27-20-4-6-21(7-5-20)29-13-15-33-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31)/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells |
J Med Chem 53: 1876-80 (2010)
Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426359
(CHEMBL2326693)Show SMILES OCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:5| Show InChI InChI=1S/C14H17Cl2NO/c15-13-5-4-11(9-14(13)16)12-3-1-2-6-17(10-12)7-8-18/h1-2,4-5,9,12,18H,3,6-8,10H2/t12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426352
(CHEMBL2321996)Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426363
(CHEMBL2321997)Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426358
(CHEMBL2326694)Show SMILES COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:6| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-8-18-7-3-2-4-13(11-18)12-5-6-14(16)15(17)10-12/h2-3,5-6,10,13H,4,7-9,11H2,1H3/t13-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426351
(CHEMBL2321999)Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426362
(CHEMBL2326690)Show InChI InChI=1S/C14H15NO/c1-2-7-13-11(5-1)9-14(16-13)12-6-3-4-8-15-10-12/h1-5,7,9,12,15H,6,8,10H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426347
(CHEMBL2326684)Show InChI InChI=1S/C14H18ClN/c1-11-9-12(6-7-14(11)15)13-5-3-4-8-16(2)10-13/h3-4,6-7,9,13H,5,8,10H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426346
(CHEMBL2326685)Show InChI InChI=1S/C13H16ClN/c1-10-8-11(5-6-13(10)14)12-4-2-3-7-15-9-12/h2-3,5-6,8,12,15H,4,7,9H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426350
(CHEMBL2322000)Show InChI InChI=1S/C12H13Cl2N/c13-11-5-4-9(7-12(11)14)10-3-1-2-6-15-8-10/h1-2,4-5,7,10,15H,3,6,8H2/t10-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426349
(CHEMBL2322001)Show InChI InChI=1S/C16H17N/c1-2-6-14-11-15(9-8-13(14)5-1)16-7-3-4-10-17-12-16/h1-6,8-9,11,16-17H,7,10,12H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426344
(CHEMBL2326687)Show InChI InChI=1S/C12H14ClN/c13-12-6-4-10(5-7-12)11-3-1-2-8-14-9-11/h1-2,4-7,11,14H,3,8-9H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DAT in rat synaptosomal membrane |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50426357
(CHEMBL2326695)Show InChI InChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-8-18)5-1-2-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SERT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426359
(CHEMBL2326693)Show SMILES OCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:5| Show InChI InChI=1S/C14H17Cl2NO/c15-13-5-4-11(9-14(13)16)12-3-1-2-6-17(10-12)7-8-18/h1-2,4-5,9,12,18H,3,6-8,10H2/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50325855
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50426355
(CHEMBL2321991)Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SERT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426362
(CHEMBL2326690)Show InChI InChI=1S/C14H15NO/c1-2-7-13-11(5-1)9-14(16-13)12-6-3-4-8-15-10-12/h1-5,7,9,12,15H,6,8,10H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426348
(CHEMBL2322002)Show InChI InChI=1S/C13H16ClN/c1-10-5-6-11(8-13(10)14)12-4-2-3-7-15-9-12/h2-3,5-6,8,12,15H,4,7,9H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426356
(CHEMBL2321990)Show InChI InChI=1S/C14H19Cl2NO/c15-12-4-3-11(9-13(12)16)14(6-8-18)5-1-2-7-17-10-14/h3-4,9,17-18H,1-2,5-8,10H2/t14-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426363
(CHEMBL2321997)Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50426352
(CHEMBL2321996)Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant NET expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50426342
(CHEMBL2326689)Show InChI InChI=1S/C15H17NO/c1-16-9-5-4-7-13(11-16)15-10-12-6-2-3-8-14(12)17-15/h2-6,8,10,13H,7,9,11H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DAT expressed in HEK cells |
ACS Med Chem Lett 4: 46-51 (2013)
Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK |
More data for this
Ligand-Target Pair | |
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