Found 11 hits with Last Name = 'aigbirhio' and Initial = 'fi' 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)) | BDBM50401014
(CHEMBL2206307)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF |r,TLB:11:10:6.7:18,THB:2:4:6.7:18| Show InChI InChI=1S/C17H21ClFNO2/c1-22-17(21)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)20(13)9-8-19/h2-5,13-16H,6-10H2,1H3/t13-,14+,15+,16-/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 |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Binding affinity to DAT |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate... |
ACS Med Chem Lett 6: 548-52 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00044
BindingDB Entry DOI: 10.7270/Q2348N35 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN35,428 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.26 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DA from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Displacement of [3H]NE from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate assessed as... |
ACS Med Chem Lett 6: 548-52 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00044
BindingDB Entry DOI: 10.7270/Q2348N35 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50401015
(CHEMBL1947086)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,THB:19:18:4.10.9:7.6| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16-,17+,18+,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Binding affinity to rat DAT |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50296782
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description
Binding affinity to rat DAT |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053
BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this
Ligand-Target Pair | |
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