Found 9 hits with Last Name = 'shih' and Initial = 'hc' 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 |
|---|
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368712
(CHEMBL608051)Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-6,10,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368710
(CHEMBL607761)Show SMILES NC[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C10H13IN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368709
(CHEMBL607766)Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CF)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11FIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368707
(CHEMBL612205)Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C10H12IN5O3/c1-3-5(17)6(18)10(19-3)16-9-4(7(11)15-16)8(12)13-2-14-9/h2-3,5-6,10,17-18H,1H3,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368708
(CHEMBL611890)Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11ClIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50207303
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against HSV-1(KOS) thymidine kinase |
J Med Chem 28: 904-10 (1985)
BindingDB Entry DOI: 10.7270/Q2HD7W7Z |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368706
(CHEMBL607762)Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11IN8O3/c11-7-4-8(12)14-2-15-9(4)19(17-7)10-6(21)5(20)3(22-10)1-16-18-13/h2-3,5-6,10,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50207303
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against HSV-2(333) enzyme thymidine kinase |
J Med Chem 28: 904-10 (1985)
BindingDB Entry DOI: 10.7270/Q2HD7W7Z |
More data for this
Ligand-Target Pair | |
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