Found 3246 hits with Last Name = 'gopalsamy' 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565931
(CHEMBL4787096)Show SMILES C[C@H](Oc1cc(cnc1N)-c1c[nH]nc1C)c1cc(F)ccc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565919
(CHEMBL4794362)Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)c(F)cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565920
(CHEMBL4784517)Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565925
(CHEMBL4778780)Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CCO)ncc2cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565921
(CHEMBL4781765)Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2[nH]ncc2cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565918
(CHEMBL4778108)Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)c(F)cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565917
(CHEMBL4783261)Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)ccc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565922
(CHEMBL4797664)Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565929
(Pf-07059013)Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| >3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565928
(CHEMBL4785484)Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565927
(CHEMBL4779453)Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565926
(CHEMBL4778770)Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CC(O)=O)ncc2cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565924
(CHEMBL4795396)Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2n(CCO)ncc2cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565916
(CHEMBL4777878)Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)ccc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565923
(CHEMBL4762748)Show SMILES C[C@H](Oc1cc2cc(cc(F)c2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50565930
(CHEMBL4796436)Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50232534
(5-((2-fluorophenoxy)methyl)quinazoline-2,4-diamine...)Show InChI InChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50232526
(5-((2,4-difluorophenoxy)methyl)quinazoline-2,4-dia...)Show InChI InChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237216
(CHEMBL4080254)Show InChI InChI=1S/C21H25N5O/c22-20-19-17(24-21(23)25-20)7-4-8-18(19)27-14-16-9-11-26(12-10-16)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50232538
(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237201
(CHEMBL4082618)Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23ClFN5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394177
(CHEMBL2158862)Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C25H25N7O3S/c1-16-4-7-20(15-23(16)36(34,35)27-3)30-24-29-13-11-21(32-24)18-10-12-28-22(14-18)17-5-8-19(9-6-17)31-25(33)26-2/h4-15,27H,1-3H3,(H2,26,31,33)(H,29,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394184
(CHEMBL2158860)Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C24H23N7O3S/c1-15-3-6-19(14-22(15)35(25,33)34)29-23-28-12-10-20(31-23)17-9-11-27-21(13-17)16-4-7-18(8-5-16)30-24(32)26-2/h3-14H,1-2H3,(H2,25,33,34)(H2,26,30,32)(H,28,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394179
(CHEMBL2158865)Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C25H24ClN7O3S/c1-27-25(34)31-18-6-4-16(5-7-18)22-14-17(10-12-28-22)21-11-13-29-24(32-21)30-19-8-9-20(26)23(15-19)37(35,36)33(2)3/h4-15H,1-3H3,(H2,27,31,34)(H,29,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394185
(CHEMBL2158864)Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C24H22ClN7O3S/c1-26-24(33)31-17-5-3-15(4-6-17)21-13-16(9-11-28-21)20-10-12-29-23(32-20)30-18-7-8-19(25)22(14-18)36(34,35)27-2/h3-14,27H,1-2H3,(H2,26,31,33)(H,29,30,32) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50232589
(5-((3-chlorophenoxy)methyl)quinazoline-2,4-diamine...)Show InChI InChI=1S/C15H13ClN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20) | PDB
MMDB
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| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394175
(CHEMBL2158858)Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C23H21N7O3S/c1-25-23(31)29-17-7-5-15(6-8-17)21-13-16(9-11-26-21)20-10-12-27-22(30-20)28-18-3-2-4-19(14-18)34(24,32)33/h2-14H,1H3,(H2,24,32,33)(H2,25,29,31)(H,27,28,30) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394176
(CHEMBL2158861)Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C26H27N7O3S/c1-17-5-8-21(16-24(17)37(35,36)33(3)4)30-25-29-14-12-22(32-25)19-11-13-28-23(15-19)18-6-9-20(10-7-18)31-26(34)27-2/h5-16H,1-4H3,(H2,27,31,34)(H,29,30,32) | PDB
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| n/a | n/a | <0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237200
(CHEMBL4072132)Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27) | PDB
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| Article
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| n/a | n/a | 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM36530
(D157493)Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27) | PDB
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| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-HT3 receptor in rat was evaluated |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394166
(CHEMBL2158859)Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C24H23N7O3S/c1-25-24(32)30-18-8-6-16(7-9-18)22-14-17(10-12-27-22)21-11-13-28-23(31-21)29-19-4-3-5-20(15-19)35(33,34)26-2/h3-15,26H,1-2H3,(H2,25,30,32)(H,28,29,31) | PDB
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| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237199
(CHEMBL4077061)Show InChI InChI=1S/C16H12FN5O/c17-11-4-9(7-18)5-12(6-11)23-8-10-2-1-3-13-14(10)15(19)22-16(20)21-13/h1-6H,8H2,(H4,19,20,21,22) | PDB
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| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm. |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237203
(CHEMBL250072)Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H24ClN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26) | PDB
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| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394165
(CHEMBL2158866)Show SMILES CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1Cl Show InChI InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34) | PDB
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Article
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| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237205
(CHEMBL398675)Show InChI InChI=1S/C15H12F2N4O/c16-9-4-8(5-10(17)6-9)7-22-12-3-1-2-11-13(12)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21) | PDB
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| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394174
(CHEMBL2158863)Show SMILES CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1C Show InChI InChI=1S/C28H31N7O3S/c1-5-35(6-2)39(37,38)26-18-23(10-7-19(26)3)32-27-31-16-14-24(34-27)21-13-15-30-25(17-21)20-8-11-22(12-9-20)33-28(36)29-4/h7-18H,5-6H2,1-4H3,(H2,29,33,36)(H,31,32,34) | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SMG1
(Homo sapiens (Human)) | BDBM50394164
(CHEMBL2158011)Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1 Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33) | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay |
Bioorg Med Chem Lett 22: 6636-41 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237209
(CHEMBL4062544)Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20) | PDB
MMDB
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| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237211
(CHEMBL4061457)Show InChI InChI=1S/C15H15N5O/c1-9-12(6-3-7-18-9)21-8-10-4-2-5-11-13(10)14(16)20-15(17)19-11/h2-7H,8H2,1H3,(H4,16,17,19,20) | PDB
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| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237210
(CHEMBL399673)Show InChI InChI=1S/C15H13ClN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20) | PDB
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| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM36534
(D156095)Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-5-4-14(10-16(15)23)11-28-8-6-13(7-9-28)12-29-18-3-1-2-17-19(18)20(24)27-21(25)26-17/h1-5,10,13H,6-9,11-12H2,(H4,24,25,26,27) | PDB
MMDB
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| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394655
(US10308615, Example 12 | preparation of {2-[(pyrid...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394660
(US10308615, Example 17 | preparation of [3-(methyl...)Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237217
(CHEMBL342595)Show InChI InChI=1S/C15H14N4O/c16-14-13-11(18-15(17)19-14)7-4-8-12(13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H4,16,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards rat 5-hydroxytryptamine 3 receptor was evaluated |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM395062
((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...)Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237202
(CHEMBL4103454)Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4OC(F)(F)F)CC3)cccc2n1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)32-17-6-2-1-4-15(17)12-30-10-8-14(9-11-30)13-31-18-7-3-5-16-19(18)20(26)29-21(27)28-16/h1-7,14H,8-13H2,(H4,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM395062
((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...)Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394659
(US10308615, Example 16 | preparation of (2-{[1-(py...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-12(6-14)16(28)13-7-25-17(26-8-13)27-18(4-5-18)15-9-23-11-24-10-15/h1-3,6-11H,4-5H2,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
m7GpppX diphosphatase
(Homo sapiens (Human)) | BDBM50237198
(CHEMBL4068466)Show InChI InChI=1S/C14H18N4O2/c15-13-12-10(17-14(16)18-13)2-1-3-11(12)20-8-9-4-6-19-7-5-9/h1-3,9H,4-8H2,(H4,15,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity |
J Med Chem 60: 3094-3108 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM394660
(US10308615, Example 17 | preparation of [3-(methyl...)Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter... |
Bioorg Med Chem Lett 19: 3664-8 (2009)
BindingDB Entry DOI: 10.7270/Q22809Z8 |
More data for this
Ligand-Target Pair | |
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