Found 239 hits with Last Name = 'axford' and Initial = 'l' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132686
(CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132687
(CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132685
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132679
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132678
(CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132684
(CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...)Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132677
(CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1 | PDB
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132683
(6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...)Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibition of [3H]-NE re-uptake into synaptosome |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132680
(CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132685
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132684
(CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...)Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibition of DA re-uptake into synaptosome |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132681
(CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132682
(CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...)Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1 | PDB
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| CHEMBL
PC cid
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
In vitro ability of compound to inhibit 5-HT re-uptake of radiolabelled [3H]-tritium trasmitter into synaptosome |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132686
(CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132677
(CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132679
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132683
(6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...)Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132683
(6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...)Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | Reactome pathway
KEGG
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132687
(CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | NCI pathway
Reactome pathway
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132682
(CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...)Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1 | Reactome pathway
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50132688
(CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3 | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | PDB
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132680
(CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | NCI pathway
Reactome pathway
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132682
(CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...)Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1 | NCI pathway
Reactome pathway
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
In vitro inhibition of DA re-uptake into synaptosome |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132681
(CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1 | NCI pathway
Reactome pathway
KEGG
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132681
(CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1 | Reactome pathway
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132678
(CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1 | NCI pathway
Reactome pathway
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132679
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1 | Reactome pathway
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| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to displace [3H]-citalopram from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132685
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3 | Reactome pathway
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| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132680
(CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | Reactome pathway
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132677
(CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1 | Reactome pathway
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| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132686
(CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1 | Reactome pathway
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| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132688
(CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3 | Reactome pathway
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Similars
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| 183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-citalopram from Serotonin transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132684
(CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...)Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3 | Reactome pathway
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| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132678
(CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1 | Reactome pathway
KEGG
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| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50132687
(CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1 | Reactome pathway
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| 385 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50132688
(CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...)Show InChI InChI=1S/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
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| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter |
Bioorg Med Chem Lett 13: 3277-80 (2003)
BindingDB Entry DOI: 10.7270/Q29W0DXF |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091288
(CHEMBL3582227)Show SMILES Cn1cc(cn1)-c1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C26H26N6/c1-31-17-21(14-29-31)24-12-22-23-11-20(13-28-26(23)30-25(22)15-27-24)19-7-5-18(6-8-19)16-32-9-3-2-4-10-32/h5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091302
(CHEMBL3582223)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnco1 Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091309
(CHEMBL3582216)Show SMILES CCN1CCc2sc(cc2C1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)13-8-12-9-14(19)16(18(12)2)15(13)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13?,14?,15?,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091287
(CHEMBL3582228)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cccnc1 Show InChI InChI=1S/C27H25N5/c1-2-11-32(12-3-1)18-19-6-8-20(9-7-19)22-13-24-23-14-25(21-5-4-10-28-15-21)29-17-26(23)31-27(24)30-16-22/h4-10,13-17H,1-3,11-12,18H2,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091300
(CHEMBL3582225)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1nnco1 Show InChI InChI=1S/C24H22N6O/c1-2-8-30(9-3-1)14-16-4-6-17(7-5-16)18-10-20-19-11-21(24-29-27-15-31-24)25-13-22(19)28-23(20)26-12-18/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091293
(CHEMBL3582201)Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091289
(CHEMBL3582226)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnoc1 Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-22-21-11-23(20-13-28-31-16-20)26-14-24(21)29-25(22)27-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091301
(CHEMBL3582224)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncs1 Show InChI InChI=1S/C25H23N5S/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50035709
(CHEMBL3359895)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091320
(CHEMBL3582207)Show SMILES OC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C14H29O19P3/c1-2-3-27-14-12(33-36(24,25)26)9(6(4-15)29-14)30-13-8(17)11(32-35(21,22)23)10(7(5-16)28-13)31-34(18,19)20/h6-17H,2-5H2,1H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t6-,7?,8+,9+,10+,11?,12+,13+,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091294
(CHEMBL3582200)Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-5-7-28(8-6-27)18-4-2-3-15(9-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-4,9-11,13-14H,5-8H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
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