Found 26 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50041655
(CHEMBL3352877)Show InChI InChI=1S/C20H29N5O4/c1-4-25-18(11-16(24-25)13-27-3)29-17-10-15(9-14-5-7-28-8-6-14)12-22-19(17)23-20(26)21-2/h10-12,14H,4-9,13H2,1-3H3,(H2,21,22,23,26) | 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 | 820 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041613
(CHEMBL3358438)Show InChI InChI=1S/C17H24N6O3/c1-3-23-15(4-5-20-23)26-14-10-13(12-22-6-8-25-9-7-22)11-19-16(14)21-17(24)18-2/h4-5,10-11H,3,6-9,12H2,1-2H3,(H2,18,19,21,24) | 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 | 7.98E+3 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041607
(CHEMBL3358433)Show InChI InChI=1S/C20H26N4O3/c1-3-16-17(5-4-8-22-16)27-18-12-15(11-14-6-9-26-10-7-14)13-23-19(18)24-20(25)21-2/h4-5,8,12-14H,3,6-7,9-11H2,1-2H3,(H2,21,23,24,25) | 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 | 290 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041608
(CHEMBL3358434)Show InChI InChI=1S/C17H25N5O3/c1-4-22-15(8-9-20-22)25-14-11-13(7-5-6-10-24-3)12-19-16(14)21-17(23)18-2/h8-9,11-12H,4-7,10H2,1-3H3,(H2,18,19,21,23) | 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 | 460 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041610
(CHEMBL3358436)Show InChI InChI=1S/C18H25N5O3/c1-3-23-16(4-7-21-23)26-15-11-14(10-13-5-8-25-9-6-13)12-20-17(15)22-18(24)19-2/h4,7,11-13H,3,5-6,8-10H2,1-2H3,(H2,19,20,22,24) | 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 | 350 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041656
(CHEMBL3358442)Show SMILES CCn1nccc1Oc1cc(C[C@H]2CC[C@H](O)CC2)cnc1NC(=O)NC |r,wU:12.12,wD:15.16,(16.85,-21.56,;17.32,-20.09,;18.83,-19.78,;19.97,-20.81,;21.31,-20.03,;20.98,-18.53,;19.45,-18.37,;18.68,-17.03,;17.14,-17.03,;16.37,-18.37,;14.83,-18.37,;14.06,-19.7,;12.52,-19.7,;11.75,-21.04,;10.21,-21.04,;9.44,-19.7,;7.9,-19.7,;10.21,-18.37,;11.75,-18.37,;14.06,-17.03,;14.83,-15.7,;16.37,-15.7,;17.14,-14.36,;16.37,-13.04,;17.14,-11.7,;14.83,-13.04,;14.06,-14.36,)| Show InChI InChI=1S/C19H27N5O3/c1-3-24-17(8-9-22-24)27-16-11-14(10-13-4-6-15(25)7-5-13)12-21-18(16)23-19(26)20-2/h8-9,11-13,15,25H,3-7,10H2,1-2H3,(H2,20,21,23,26)/t13-,15- | 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 | 68 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041565
(CHEMBL3358425)Show InChI InChI=1S/C18H24N4O2/c1-5-14-15(7-6-8-20-14)24-16-10-13(9-12(2)3)11-21-17(16)22-18(23)19-4/h6-8,10-12H,5,9H2,1-4H3,(H2,19,21,22,23) | 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 | 120 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041566
(CHEMBL3358426)Show InChI InChI=1S/C18H24N4O3/c1-4-14-15(7-6-9-20-14)25-16-11-13(8-10-24-5-2)12-21-17(16)22-18(23)19-3/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H2,19,21,22,23) | 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 | 590 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041571
(CHEMBL3358428)Show InChI InChI=1S/C19H26N4O3/c1-4-15-16(9-7-10-21-15)26-17-12-14(8-5-6-11-25-3)13-22-18(17)23-19(24)20-2/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H2,20,22,23,24) | 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 | 110 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041575
(CHEMBL3358430)Show InChI InChI=1S/C18H24N4O3/c1-3-14-15(8-6-9-20-14)25-16-11-13(7-4-5-10-23)12-21-17(16)22-18(24)19-2/h6,8-9,11-12,23H,3-5,7,10H2,1-2H3,(H2,19,21,22,24) | PDB
MMDB
NCI pathway
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 | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041609
(CHEMBL3358435)Show InChI InChI=1S/C18H27N5O3/c1-5-23-15(8-10-21-23)26-14-11-13(7-6-9-18(2,3)25)12-20-16(14)22-17(24)19-4/h8,10-12,25H,5-7,9H2,1-4H3,(H2,19,20,22,24) | 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 | 370 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041612
(CHEMBL3358437)Show InChI InChI=1S/C18H25N5O4/c1-3-23-15(4-7-21-23)27-14-10-13(11-20-17(14)22-18(25)19-2)16(24)12-5-8-26-9-6-12/h4,7,10-12,16,24H,3,5-6,8-9H2,1-2H3,(H2,19,20,22,25) | 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 | 1.68E+4 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041657
(CHEMBL3358443)Show SMILES CCn1nccc1Oc1cc(C[C@@H]2CC[C@H](O)CC2)cnc1NC(=O)NC |r,wU:15.16,12.12,(16.85,-21.56,;17.32,-20.09,;18.83,-19.78,;19.97,-20.81,;21.31,-20.03,;20.98,-18.53,;19.45,-18.37,;18.68,-17.03,;17.14,-17.03,;16.37,-18.37,;14.83,-18.37,;14.06,-19.7,;12.52,-19.7,;11.75,-18.37,;10.21,-18.37,;9.44,-19.7,;7.9,-19.7,;10.21,-21.04,;11.75,-21.04,;14.06,-17.03,;14.83,-15.7,;16.37,-15.7,;17.14,-14.36,;16.37,-13.04,;17.14,-11.7,;14.83,-13.04,;14.06,-14.36,)| Show InChI InChI=1S/C19H27N5O3/c1-3-24-17(8-9-22-24)27-16-11-14(10-13-4-6-15(25)7-5-13)12-21-18(16)23-19(26)20-2/h8-9,11-13,15,25H,3-7,10H2,1-2H3,(H2,20,21,23,26)/t13-,15+ | 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 | 120 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041574
(CHEMBL3358429)Show InChI InChI=1S/C16H20N4O3/c1-3-12-13(5-4-7-18-12)23-14-9-11(6-8-21)10-19-15(14)20-16(22)17-2/h4-5,7,9-10,21H,3,6,8H2,1-2H3,(H2,17,19,20,22) | 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 | 1.59E+3 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041653
(CHEMBL3358441)Show InChI InChI=1S/C19H27N5O3/c1-13(2)24-17(4-7-22-24)27-16-11-15(10-14-5-8-26-9-6-14)12-21-18(16)23-19(25)20-3/h4,7,11-14H,5-6,8-10H2,1-3H3,(H2,20,21,23,25) | 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 | 2.76E+3 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041660
(CHEMBL3358445)Show SMILES CCn1nccc1Oc1cc(C[C@H]2CC[C@@](C)(O)CC2)cnc1NC(=O)NC |r,wU:15.17,12.12,(16.82,-21.56,;17.3,-20.1,;18.8,-19.78,;19.95,-20.81,;21.28,-20.04,;20.96,-18.53,;19.43,-18.37,;18.66,-17.04,;17.12,-17.04,;16.35,-18.37,;14.81,-18.37,;14.04,-19.71,;12.5,-19.71,;11.73,-21.04,;10.19,-21.04,;9.42,-19.71,;8.24,-20.7,;8.24,-18.71,;10.19,-18.37,;11.73,-18.37,;14.04,-17.04,;14.81,-15.7,;16.35,-15.7,;17.12,-14.37,;16.35,-13.04,;17.12,-11.71,;14.81,-13.04,;14.04,-14.37,)| Show InChI InChI=1S/C20H29N5O3/c1-4-25-17(7-10-23-25)28-16-12-15(13-22-18(16)24-19(26)21-3)11-14-5-8-20(2,27)9-6-14/h7,10,12-14,27H,4-6,8-9,11H2,1-3H3,(H2,21,22,24,26)/t14-,20+ | 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 | 97 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041662
(CHEMBL3358887)Show SMILES CCn1nccc1Oc1cc(C[C@H]2C[C@H](O)C2)cnc1NC(=O)NC |r,wU:12.12,wD:14.15,(21.47,-19.61,;20.09,-18.91,;18.8,-19.75,;18.72,-21.29,;17.23,-21.68,;16.39,-20.39,;17.36,-19.2,;16.97,-17.71,;15.48,-17.31,;14.39,-18.4,;12.9,-18,;11.81,-19.08,;10.32,-18.69,;8.99,-19.46,;8.22,-18.13,;6.73,-17.73,;9.55,-17.35,;12.5,-16.51,;13.59,-15.42,;15.08,-15.82,;16.16,-14.73,;15.77,-13.25,;16.86,-12.16,;14.28,-12.84,;13.19,-13.93,)| Show InChI InChI=1S/C17H23N5O3/c1-3-22-15(4-5-20-22)25-14-9-12(6-11-7-13(23)8-11)10-19-16(14)21-17(24)18-2/h4-5,9-11,13,23H,3,6-8H2,1-2H3,(H2,18,19,21,24)/t11-,13- | 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 | 500 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041564
(CHEMBL3358889)Show SMILES CCn1nccc1Oc1cc(C[C@H]2C[C@](C)(O)C2)cnc1NC(=O)NC |r,wU:12.12,wD:14.16,(21.99,-25.41,;20.48,-25.09,;19.45,-26.24,;19.77,-27.74,;18.44,-28.51,;17.29,-27.48,;17.92,-26.08,;17.15,-24.74,;15.61,-24.74,;14.84,-26.08,;13.3,-26.08,;12.53,-27.41,;10.99,-27.41,;9.9,-28.5,;8.81,-27.41,;7.72,-26.32,;7.72,-28.5,;9.9,-26.32,;12.53,-24.74,;13.3,-23.41,;14.84,-23.41,;15.61,-22.08,;14.84,-20.74,;15.61,-19.41,;13.3,-20.74,;12.53,-22.08,)| Show InChI InChI=1S/C18H25N5O3/c1-4-23-15(5-6-21-23)26-14-8-12(7-13-9-18(2,25)10-13)11-20-16(14)22-17(24)19-3/h5-6,8,11,13,25H,4,7,9-10H2,1-3H3,(H2,19,20,22,24)/t13-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose and 4% HSA |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041567
(CHEMBL3358427)Show InChI InChI=1S/C18H24N4O3/c1-4-14-15(8-5-9-20-14)25-16-11-13(7-6-10-24-3)12-21-17(16)22-18(23)19-2/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H2,19,21,22,23) | 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 | 440 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041605
(CHEMBL3358431)Show InChI InChI=1S/C20H28N4O3/c1-5-15-16(9-7-11-22-15)27-17-12-14(8-6-10-20(2,3)26)13-23-18(17)24-19(25)21-4/h7,9,11-13,26H,5-6,8,10H2,1-4H3,(H2,21,23,24,25) | 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 | 110 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041614
(CHEMBL3358439)Show SMILES CCn1nccc1Oc1cc(C[C@H]2CCO[C@H](COC)C2)cnc1NC(=O)NC |r| Show InChI InChI=1S/C20H29N5O4/c1-4-25-18(5-7-23-25)29-17-11-15(12-22-19(17)24-20(26)21-2)9-14-6-8-28-16(10-14)13-27-3/h5,7,11-12,14,16H,4,6,8-10,13H2,1-3H3,(H2,21,22,24,26)/t14-,16+/m1/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 | 490 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041615
(CHEMBL3358440)Show SMILES CCn1nccc1Oc1cc(C[C@@H]2CCO[C@@H](COC)C2)cnc1NC(=O)NC |r| Show InChI InChI=1S/C20H29N5O4/c1-4-25-18(5-7-23-25)29-17-11-15(12-22-19(17)24-20(26)21-2)9-14-6-8-28-16(10-14)13-27-3/h5,7,11-12,14,16H,4,6,8-10,13H2,1-3H3,(H2,21,22,24,26)/t14-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041661
(CHEMBL3358886)Show SMILES CCn1nccc1Oc1cc(C[C@@H]2C[C@H](O)C2)cnc1NC(=O)NC |r,wU:14.15,12.12,(21.47,-19.61,;20.09,-18.91,;18.8,-19.75,;18.72,-21.29,;17.23,-21.68,;16.39,-20.39,;17.36,-19.2,;16.97,-17.71,;15.48,-17.31,;14.39,-18.4,;12.9,-18,;11.81,-19.08,;10.32,-18.69,;9.55,-17.35,;8.22,-18.13,;6.73,-17.73,;8.99,-19.46,;12.5,-16.51,;13.59,-15.42,;15.08,-15.82,;16.16,-14.73,;15.77,-13.25,;16.86,-12.16,;14.28,-12.84,;13.19,-13.93,)| Show InChI InChI=1S/C17H23N5O3/c1-3-22-15(4-5-20-22)25-14-9-12(6-11-7-13(23)8-11)10-19-16(14)21-17(24)18-2/h4-5,9-11,13,23H,3,6-8H2,1-2H3,(H2,18,19,21,24)/t11-,13+ | 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 | 530 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041658
(CHEMBL3358444)Show SMILES CCn1nccc1Oc1cc(C[C@H]2CC[C@](C)(O)CC2)cnc1NC(=O)NC |r,wU:12.12,wD:15.17,(16.83,-21.56,;17.3,-20.1,;18.81,-19.78,;19.95,-20.81,;21.29,-20.04,;20.96,-18.53,;19.43,-18.37,;18.66,-17.04,;17.12,-17.04,;16.35,-18.37,;14.81,-18.37,;14.04,-19.71,;12.5,-19.71,;11.73,-21.04,;10.19,-21.04,;9.42,-19.71,;8.24,-18.71,;8.24,-20.7,;10.19,-18.37,;11.73,-18.37,;14.04,-17.04,;14.81,-15.7,;16.35,-15.7,;17.12,-14.37,;16.35,-13.04,;17.12,-11.71,;14.81,-13.04,;14.04,-14.37,)| Show InChI InChI=1S/C20H29N5O3/c1-4-25-17(7-10-23-25)28-16-12-15(13-22-18(16)24-19(26)21-3)11-14-5-8-20(2,27)9-6-14/h7,10,12-14,27H,4-6,8-9,11H2,1-3H3,(H2,21,22,24,26)/t14-,20- | 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 | 110 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041667
(CHEMBL3358888)Show SMILES CCn1nccc1Oc1cc(C[C@H]2C[C@@](C)(O)C2)cnc1NC(=O)NC |r,wU:14.16,12.12,(20.43,-10.57,;18.93,-10.25,;17.9,-11.39,;18.22,-12.9,;16.88,-13.67,;15.74,-12.64,;16.36,-11.23,;15.59,-9.9,;14.05,-9.9,;13.28,-11.23,;11.74,-11.23,;10.97,-12.56,;9.43,-12.56,;8.34,-13.65,;7.26,-12.56,;6.17,-13.65,;6.17,-11.47,;8.34,-11.47,;10.97,-9.9,;11.74,-8.57,;13.28,-8.57,;14.05,-7.23,;13.28,-5.89,;14.05,-4.56,;11.74,-5.89,;10.97,-7.23,)| Show InChI InChI=1S/C18H25N5O3/c1-4-23-15(5-6-21-23)26-14-8-12(7-13-9-18(2,25)10-13)11-20-16(14)22-17(24)19-3/h5-6,8,11,13,25H,4,7,9-10H2,1-3H3,(H2,19,20,22,24)/t13-,18+ | 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 | 710 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50041606
(CHEMBL3358432)Show InChI InChI=1S/C21H28N4O2/c1-3-17-18(10-7-11-23-17)27-19-13-16(12-15-8-5-4-6-9-15)14-24-20(19)25-21(26)22-2/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H2,22,24,25,26) | 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 | 14 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
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