Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50045966 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)) | BDBM50089103
(CHEMBL3577724)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(O)c1 |r| Show InChI InChI=1S/C23H23N3O4/c1-16(15-29-3)30-21-13-18(8-7-17-5-4-6-20(27)12-17)11-19(14-21)23(28)24-22-9-10-26(2)25-22/h4-6,9-14,16,27H,15H2,1-3H3,(H,24,25,28)/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 | 39 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089218
(CHEMBL3577737)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C29H34N4O5/c1-22(21-35-3)38-27-19-24(17-25(20-27)29(34)30-28-9-10-32(2)31-28)8-7-23-5-4-6-26(18-23)37-16-13-33-11-14-36-15-12-33/h4-6,9-10,17-20,22H,11-16,21H2,1-3H3,(H,30,31,34)/t22-/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 | 16 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089107
(CHEMBL3577726)Show SMILES CCN(CC)c1cccc(c1)C#Cc1cc(O[C@@H](C)COC)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C27H32N4O3/c1-6-31(7-2)24-10-8-9-21(16-24)11-12-22-15-23(18-25(17-22)34-20(3)19-33-5)27(32)28-26-13-14-30(4)29-26/h8-10,13-18,20H,6-7,19H2,1-5H3,(H,28,29,32)/t20-/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 | 163 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089108
(CHEMBL3577727)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN(C)C)c1 |r| Show InChI InChI=1S/C27H33N5O3/c1-20(19-34-5)35-25-17-22(15-23(18-25)27(33)29-26-11-13-32(4)30-26)10-9-21-7-6-8-24(16-21)28-12-14-31(2)3/h6-8,11,13,15-18,20,28H,12,14,19H2,1-5H3,(H,29,30,33)/t20-/m0/s1 | 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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089134
(CHEMBL3577728)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCC2)c1 |r| Show InChI InChI=1S/C29H35N5O3/c1-22(21-36-3)37-27-19-24(17-25(20-27)29(35)31-28-11-15-33(2)32-28)10-9-23-7-6-8-26(18-23)30-12-16-34-13-4-5-14-34/h6-8,11,15,17-20,22,30H,4-5,12-14,16,21H2,1-3H3,(H,31,32,35)/t22-/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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089135
(CHEMBL3577729)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCCC2)c1 |r| Show InChI InChI=1S/C30H37N5O3/c1-23(22-37-3)38-28-20-25(18-26(21-28)30(36)32-29-12-16-34(2)33-29)11-10-24-8-7-9-27(19-24)31-13-17-35-14-5-4-6-15-35/h7-9,12,16,18-21,23,31H,4-6,13-15,17,22H2,1-3H3,(H,32,33,36)/t23-/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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089136
(CHEMBL3577730)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C29H35N5O4/c1-22(21-36-3)38-27-19-24(17-25(20-27)29(35)31-28-9-11-33(2)32-28)8-7-23-5-4-6-26(18-23)30-10-12-34-13-15-37-16-14-34/h4-6,9,11,17-20,22,30H,10,12-16,21H2,1-3H3,(H,31,32,35)/t22-/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 | 20 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089137
(CHEMBL3577731)Show SMILES COCCNc1cccc(c1)C#Cc1cc(O[C@@H](C)COC)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C26H30N4O4/c1-19(18-33-4)34-24-16-21(9-8-20-6-5-7-23(15-20)27-11-13-32-3)14-22(17-24)26(31)28-25-10-12-30(2)29-25/h5-7,10,12,14-17,19,27H,11,13,18H2,1-4H3,(H,28,29,31)/t19-/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 | 39 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089138
(CHEMBL3577714)Show SMILES COCC#Cc1cc(O[C@@H](C)COC)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C19H23N3O4/c1-14(13-25-4)26-17-11-15(6-5-9-24-3)10-16(12-17)19(23)20-18-7-8-22(2)21-18/h7-8,10-12,14H,9,13H2,1-4H3,(H,20,21,23)/t14-/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 | 1.87E+3 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089139
(CHEMBL3577715)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCOC1CCCCO1 |r| Show InChI InChI=1S/C23H29N3O5/c1-17(16-28-3)31-20-14-18(7-6-12-30-22-8-4-5-11-29-22)13-19(15-20)23(27)24-21-9-10-26(2)25-21/h9-10,13-15,17,22H,4-5,8,11-12,16H2,1-3H3,(H,24,25,27)/t17-,22?/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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089140
(CHEMBL3577716)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCN(C)C |r| Show InChI InChI=1S/C20H26N4O3/c1-15(14-26-5)27-18-12-16(7-6-9-23(2)3)11-17(13-18)20(25)21-19-8-10-24(4)22-19/h8,10-13,15H,9,14H2,1-5H3,(H,21,22,25)/t15-/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 | 7.70E+3 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089141
(CHEMBL3577717)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCNc1ncccn1 |r| Show InChI InChI=1S/C22H24N6O3/c1-16(15-30-3)31-19-13-17(6-4-8-23-22-24-9-5-10-25-22)12-18(14-19)21(29)26-20-7-11-28(2)27-20/h5,7,9-14,16H,8,15H2,1-3H3,(H,23,24,25)(H,26,27,29)/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 | 301 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089142
(CHEMBL3577718)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCSC1CCCC1 |r| Show InChI InChI=1S/C23H29N3O3S/c1-17(16-28-3)29-20-14-18(7-6-12-30-21-8-4-5-9-21)13-19(15-20)23(27)24-22-10-11-26(2)25-22/h10-11,13-15,17,21H,4-5,8-9,12,16H2,1-3H3,(H,24,25,27)/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 | 25 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089143
(CHEMBL3577719)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccccc1OC |r| Show InChI InChI=1S/C24H25N3O4/c1-17(16-29-3)31-21-14-18(9-10-19-7-5-6-8-22(19)30-4)13-20(15-21)24(28)25-23-11-12-27(2)26-23/h5-8,11-15,17H,16H2,1-4H3,(H,25,26,28)/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 | 21 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089173
(CHEMBL3577720)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc2[nH]ccc2c1 |r| | 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 | 12 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089174
(CHEMBL3577721)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H23N3O5/c1-16(14-29-3)32-20-11-18(5-4-17-6-7-21-22(12-17)31-15-30-21)10-19(13-20)24(28)25-23-8-9-27(2)26-23/h6-13,16H,14-15H2,1-3H3,(H,25,26,28)/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 | 30 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089175
(CHEMBL3577722)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc(N)cc1 |r| Show InChI InChI=1S/C23H24N4O3/c1-16(15-29-3)30-21-13-18(5-4-17-6-8-20(24)9-7-17)12-19(14-21)23(28)25-22-10-11-27(2)26-22/h6-14,16H,15,24H2,1-3H3,(H,25,26,28)/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 | 34 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089176
(CHEMBL3577723)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(N)c1 |r| Show InChI InChI=1S/C23H24N4O3/c1-16(15-29-3)30-21-13-18(8-7-17-5-4-6-20(24)12-17)11-19(14-21)23(28)25-22-9-10-27(2)26-22/h4-6,9-14,16H,15,24H2,1-3H3,(H,25,26,28)/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 | 27 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089177
(CHEMBL3577732)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCn2ccnc2C)c1 |r| Show InChI InChI=1S/C29H32N6O3/c1-21(20-37-4)38-27-18-24(16-25(19-27)29(36)32-28-10-13-34(3)33-28)9-8-23-6-5-7-26(17-23)31-12-15-35-14-11-30-22(35)2/h5-7,10-11,13-14,16-19,21,31H,12,15,20H2,1-4H3,(H,32,33,36)/t21-/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 | 9 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089178
(CHEMBL3577733)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OC(C)C)c1 |r| Show InChI InChI=1S/C26H29N3O4/c1-18(2)32-23-8-6-7-20(14-23)9-10-21-13-22(16-24(15-21)33-19(3)17-31-5)26(30)27-25-11-12-29(4)28-25/h6-8,11-16,18-19H,17H2,1-5H3,(H,27,28,30)/t19-/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 | 53 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089179
(CHEMBL3577734)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCC#N)c1 |r| Show InChI InChI=1S/C25H24N4O4/c1-18(17-31-3)33-23-15-20(8-7-19-5-4-6-22(14-19)32-12-10-26)13-21(16-23)25(30)27-24-9-11-29(2)28-24/h4-6,9,11,13-16,18H,12,17H2,1-3H3,(H,27,28,30)/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 | 46 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089180
(CHEMBL3577735)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCC2)c1 |r| Show InChI InChI=1S/C29H34N4O4/c1-22(21-35-3)37-27-19-24(17-25(20-27)29(34)30-28-11-14-32(2)31-28)10-9-23-7-6-8-26(18-23)36-16-15-33-12-4-5-13-33/h6-8,11,14,17-20,22H,4-5,12-13,15-16,21H2,1-3H3,(H,30,31,34)/t22-/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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089181
(CHEMBL3577736)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCCC2)c1 |r| Show InChI InChI=1S/C30H36N4O4/c1-23(22-36-3)38-28-20-25(18-26(21-28)30(35)31-29-12-15-33(2)32-29)11-10-24-8-7-9-27(19-24)37-17-16-34-13-5-4-6-14-34/h7-9,12,15,18-21,23H,4-6,13-14,16-17,22H2,1-3H3,(H,31,32,35)/t23-/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 | 7 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089104
(CHEMBL3577725)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(c1)N(C)C |r| Show InChI InChI=1S/C25H28N4O3/c1-18(17-31-5)32-23-15-20(10-9-19-7-6-8-22(14-19)28(2)3)13-21(16-23)25(30)26-24-11-12-29(4)27-24/h6-8,11-16,18H,17H2,1-5H3,(H,26,27,30)/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 | 37 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
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