Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50043663 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 |
|---|
Hexokinase-4
(Rattus norvegicus) | BDBM50444409
(CHEMBL3091581)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r| Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of glucokinase in Wistar rat hepatocytes assessed as nuclear to cytosolic translocation of protein by immunofluorescence assay |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Rattus norvegicus) | BDBM50444410
(CHEMBL3091580)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r| Show InChI InChI=1S/C20H24N4O5S/c25-19(23-17-8-5-14(10-21-17)20(26)27)16(9-13-3-1-2-4-13)24-11-18(22-12-24)30(28,29)15-6-7-15/h5,8,10-13,15-16H,1-4,6-7,9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50444411
(CHEMBL3091585)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r| Show InChI InChI=1S/C21H26N4O6S/c26-20(24-18-5-4-15(11-22-18)21(27)28)17(10-14-6-8-31-9-7-14)25-12-19(23-13-25)32(29,30)16-2-1-3-16/h4-5,11-14,16-17H,1-3,6-10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50444412
(CHEMBL3091584)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCOCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r| Show InChI InChI=1S/C20H24N4O6S/c25-19(23-17-4-1-14(10-21-17)20(26)27)16(9-13-5-7-30-8-6-13)24-11-18(22-12-24)31(28,29)15-2-3-15/h1,4,10-13,15-16H,2-3,5-9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50444414
(CHEMBL3091582)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r| Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-6-15(11-22-18)21(27)28)17(10-14-4-2-1-3-5-14)25-12-19(23-13-25)31(29,30)16-7-8-16/h6,9,11-14,16-17H,1-5,7-8,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 113 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50444409
(CHEMBL3091581)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r| Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 201 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50444410
(CHEMBL3091580)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CC2)nc1 |r| Show InChI InChI=1S/C20H24N4O5S/c25-19(23-17-8-5-14(10-21-17)20(26)27)16(9-13-3-1-2-4-13)24-11-18(22-12-24)30(28,29)15-6-7-15/h5,8,10-13,15-16H,1-4,6-7,9H2,(H,26,27)(H,21,23,25)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 137 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Rattus norvegicus) | BDBM50444409
(CHEMBL3091581)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r| Show InChI InChI=1S/C21H26N4O5S/c26-20(24-18-9-8-15(11-22-18)21(27)28)17(10-14-4-1-2-5-14)25-12-19(23-13-25)31(29,30)16-6-3-7-16/h8-9,11-14,16-17H,1-7,10H2,(H,27,28)(H,22,24,26)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50444413
(CHEMBL3091583)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)n2cnc(c2)S(=O)(=O)C2CCC2)nc1 |r| Show InChI InChI=1S/C22H28N4O5S/c27-21(25-19-10-9-16(12-23-19)22(28)29)18(11-15-5-2-1-3-6-15)26-13-20(24-14-26)32(30,31)17-7-4-8-17/h9-10,12-15,17-18H,1-8,11H2,(H,28,29)(H,23,25,27)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 227 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase by G6PDH/NADP coupled assay |
Bioorg Med Chem Lett 23: 6588-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.057
BindingDB Entry DOI: 10.7270/Q2QZ2CFX |
More data for this
Ligand-Target Pair | |
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