Found 22 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50402953
(CHEMBL2206790)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C22H21ClN6O3/c1-14-7-8-19(24-11-14)28-21(30)18(9-10-31-2)32-22-15-12-27-29(20(15)25-13-26-22)17-6-4-3-5-16(17)23/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,28,30)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50402952
(CHEMBL2206791)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C23H21F3N6O3/c1-14-7-8-19(27-11-14)31-21(33)18(9-10-34-2)35-22-15-12-30-32(20(15)28-13-29-22)17-6-4-3-5-16(17)23(24,25)26/h3-8,11-13,18H,9-10H2,1-2H3,(H,27,31,33)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50402951
(CHEMBL2206792)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1OC)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C23H24N6O4/c1-15-8-9-20(24-12-15)28-22(30)19(10-11-31-2)33-23-16-13-27-29(21(16)25-14-26-23)17-6-4-5-7-18(17)32-3/h4-9,12-14,19H,10-11H2,1-3H3,(H,24,28,30)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402964
(CHEMBL2206776)Show InChI InChI=1S/C19H14ClN5OS/c20-15-8-4-5-9-16(15)25-18-14(10-23-25)19(22-12-21-18)27-11-17(26)24-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,24,26) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402958
(CHEMBL2206782)Show SMILES COCCOCCC(Sc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C22H23ClN6O3S2/c1-14-12-33-22(27-14)28-20(30)18(7-8-32-10-9-31-2)34-21-15-11-26-29(19(15)24-13-25-21)17-6-4-3-5-16(17)23/h3-6,11-13,18H,7-10H2,1-2H3,(H,27,28,30) | 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 | 3.16E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402960
(CHEMBL2206780)Show SMILES CCCCC(Sc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C21H21ClN6OS2/c1-3-4-9-17(19(29)27-21-26-13(2)11-30-21)31-20-14-10-25-28(18(14)23-12-24-20)16-8-6-5-7-15(16)22/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,26,27,29) | 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 | 631 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402961
(CHEMBL2206779)Show SMILES Cn1ccc(NC(=O)CSc2ncnc3n(ncc23)-c2ccccc2Cl)n1 Show InChI InChI=1S/C17H14ClN7OS/c1-24-7-6-14(23-24)22-15(26)9-27-17-11-8-21-25(16(11)19-10-20-17)13-5-3-2-4-12(13)18/h2-8,10H,9H2,1H3,(H,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 | 1.58E+4 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402952
(CHEMBL2206791)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C23H21F3N6O3/c1-14-7-8-19(27-11-14)31-21(33)18(9-10-34-2)35-22-15-12-30-32(20(15)28-13-29-22)17-6-4-3-5-16(17)23(24,25)26/h3-8,11-13,18H,9-10H2,1-2H3,(H,27,31,33)/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 | 63.1 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402953
(CHEMBL2206790)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C22H21ClN6O3/c1-14-7-8-19(24-11-14)28-21(30)18(9-10-31-2)32-22-15-12-27-29(20(15)25-13-26-22)17-6-4-3-5-16(17)23/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,28,30)/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 | 50.1 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402951
(CHEMBL2206792)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1OC)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C23H24N6O4/c1-15-8-9-20(24-12-15)28-22(30)19(10-11-31-2)33-23-16-13-27-29(21(16)25-14-26-23)17-6-4-5-7-18(17)32-3/h4-9,12-14,19H,10-11H2,1-3H3,(H,24,28,30)/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 | 200 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402956
(CHEMBL2206784)Show SMILES Cc1csc(NC(=O)COc2ncnc3n(ncc23)-c2ccccc2Cl)n1 Show InChI InChI=1S/C17H13ClN6O2S/c1-10-8-27-17(22-10)23-14(25)7-26-16-11-6-21-24(15(11)19-9-20-16)13-5-3-2-4-12(13)18/h2-6,8-9H,7H2,1H3,(H,22,23,25) | 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 | 1.58E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402955
(CHEMBL2206785)Show SMILES CCCCC(Oc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C21H21ClN6O2S/c1-3-4-9-17(19(29)27-21-26-13(2)11-31-21)30-20-14-10-25-28(18(14)23-12-24-20)16-8-6-5-7-15(16)22/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,26,27,29) | 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 | 126 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402957
(CHEMBL2206783)Show SMILES Cc1csc(NC(=O)C(Sc2ncnc3n(ncc23)-c2ccccc2Cl)c2ccccc2)n1 Show InChI InChI=1S/C23H17ClN6OS2/c1-14-12-32-23(28-14)29-21(31)19(15-7-3-2-4-8-15)33-22-16-11-27-30(20(16)25-13-26-22)18-10-6-5-9-17(18)24/h2-13,19H,1H3,(H,28,29,31) | 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+5 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402959
(CHEMBL2206781)Show SMILES COCCC(Sc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C20H19ClN6O2S2/c1-12-10-30-20(25-12)26-18(28)16(7-8-29-2)31-19-13-9-24-27(17(13)22-11-23-19)15-6-4-3-5-14(15)21/h3-6,9-11,16H,7-8H2,1-2H3,(H,25,26,28) | 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 | 794 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402963
(CHEMBL2206777)Show SMILES Cc1ccc(NC(=O)CSc2ncnc3n(ncc23)-c2ccccc2Cl)nc1 Show InChI InChI=1S/C19H15ClN6OS/c1-12-6-7-16(21-8-12)25-17(27)10-28-19-13-9-24-26(18(13)22-11-23-19)15-5-3-2-4-14(15)20/h2-9,11H,10H2,1H3,(H,21,25,27) | 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 | 501 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402951
(CHEMBL2206792)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1OC)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C23H24N6O4/c1-15-8-9-20(24-12-15)28-22(30)19(10-11-31-2)33-23-16-13-27-29(21(16)25-14-26-23)17-6-4-5-7-18(17)32-3/h4-9,12-14,19H,10-11H2,1-3H3,(H,24,28,30)/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 | 126 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402954
(CHEMBL2206787)Show SMILES COCCC(Oc1ncnc2n(ncc12)-c1ccccc1C)C(=O)Nc1ccc(C)cn1 Show InChI InChI=1S/C23H24N6O3/c1-15-8-9-20(24-12-15)28-22(30)19(10-11-31-3)32-23-17-13-27-29(21(17)25-14-26-23)18-7-5-4-6-16(18)2/h4-9,12-14,19H,10-11H2,1-3H3,(H,24,28,30) | 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 | 316 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402965
(CHEMBL1401244)Show SMILES Cc1csc(NC(=O)CSc2ncnc3n(ncc23)-c2ccccc2Cl)n1 Show InChI InChI=1S/C17H13ClN6OS2/c1-10-7-27-17(22-10)23-14(25)8-26-16-11-6-21-24(15(11)19-9-20-16)13-5-3-2-4-12(13)18/h2-7,9H,8H2,1H3,(H,22,23,25) | 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 | 2.51E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402952
(CHEMBL2206791)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C23H21F3N6O3/c1-14-7-8-19(27-11-14)31-21(33)18(9-10-34-2)35-22-15-12-30-32(20(15)28-13-29-22)17-6-4-3-5-16(17)23(24,25)26/h3-8,11-13,18H,9-10H2,1-2H3,(H,27,31,33)/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 | 100 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402950
(CHEMBL2206775)Show InChI InChI=1S/C17H14N6OS2/c1-11-8-26-17(21-11)22-14(24)9-25-16-13-7-20-23(15(13)18-10-19-16)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,21,22,24) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402962
(CHEMBL2206778)Show InChI InChI=1S/C17H12ClN7OS/c18-12-4-1-2-5-13(12)25-15-11(8-23-25)16(22-10-21-15)27-9-14(26)24-17-19-6-3-7-20-17/h1-8,10H,9H2,(H,19,20,24,26) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50402953
(CHEMBL2206790)Show SMILES COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1 |r| Show InChI InChI=1S/C22H21ClN6O3/c1-14-7-8-19(24-11-14)28-21(30)18(9-10-31-2)32-22-15-12-27-29(20(15)25-13-26-22)17-6-4-3-5-16(17)23/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,28,30)/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 | 100 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Activation of human glucokinase |
Bioorg Med Chem Lett 22: 7302-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.090
BindingDB Entry DOI: 10.7270/Q2BK1DJ3 |
More data for this
Ligand-Target Pair | |
Search and Browse
