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 |
|---|
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090887
((1R,4S,5R)-2-Methyl-5-(5-phenyl-4-phenylamino-pyrr...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H22N4O3/c1-14-19(28)20(29)23(30-14)27-12-17(15-8-4-2-5-9-15)18-21(24-13-25-22(18)27)26-16-10-6-3-7-11-16/h2-14,19-20,23,28-29H,1H3,(H,24,25,26)/t14-,19-,20-,23-/m1/s1 | PDB
MMDB
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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090881
((2R,3R,4S,5R)-2-(6-Bromo-5-phenyl-4-phenylamino-py...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)c(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H21BrN4O3/c1-13-18(29)19(30)23(31-13)28-20(24)16(14-8-4-2-5-9-14)17-21(25-12-26-22(17)28)27-15-10-6-3-7-11-15/h2-13,18-19,23,29-30H,1H3,(H,25,26,27)/t13-,18-,19-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166242
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-phen...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H24N6O4/c31-12-17-19(32)20(33)23(34-17)30-22-18(28-24(30)27-15-7-2-1-3-8-15)21(25-13-26-22)29-11-10-14-6-4-5-9-16(14)29/h1-9,13,17,19-20,23,31-33H,10-12H2,(H,27,28)/t17-,19-,20-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166239
((2R,3R,4S,5R)-2-[4-(2,3-Dihydro-indol-1-yl)-5-phen...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C25H24N4O3/c1-15-21(30)22(31)25(32-15)29-13-18(16-7-3-2-4-8-16)20-23(26-14-27-24(20)29)28-12-11-17-9-5-6-10-19(17)28/h2-10,13-15,21-22,25,30-31H,11-12H2,1H3/t15-,21-,22-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166237
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-viny...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C=C)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C20H21N5O4/c1-2-14-23-15-18(24-8-7-11-5-3-4-6-12(11)24)21-10-22-19(15)25(14)20-17(28)16(27)13(9-26)29-20/h2-6,10,13,16-17,20,26-28H,1,7-9H2/t13-,16-,17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166238
((2R,3R,4S,5R)-2-(6,8-Bis-phenylamino-purin-9-yl)-5...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C22H22N6O4/c29-11-15-17(30)18(31)21(32-15)28-20-16(27-22(28)26-14-9-5-2-6-10-14)19(23-12-24-20)25-13-7-3-1-4-8-13/h1-10,12,15,17-18,21,29-31H,11H2,(H,26,27)(H,23,24,25)/t15-,17-,18-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166244
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-meth...)Show SMILES CSc1nc2c(ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCc2ccccc12 Show InChI InChI=1S/C19H21N5O4S/c1-29-19-22-13-16(23-7-6-10-4-2-3-5-11(10)23)20-9-21-17(13)24(19)18-15(27)14(26)12(8-25)28-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3/t12-,14-,15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090850
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166229
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-phen...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H24N6O3/c1-14-19(31)20(32)23(33-14)30-22-18(28-24(30)27-16-8-3-2-4-9-16)21(25-13-26-22)29-12-11-15-7-5-6-10-17(15)29/h2-10,13-14,19-20,23,31-32H,11-12H2,1H3,(H,27,28)/t14-,19-,20-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166234
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-ethy...)Show SMILES CCc1nc2c(ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCc2ccccc12 Show InChI InChI=1S/C20H23N5O4/c1-2-14-23-15-18(24-8-7-11-5-3-4-6-12(11)24)21-10-22-19(15)25(14)20-17(28)16(27)13(9-26)29-20/h3-6,10,13,16-17,20,26-28H,2,7-9H2,1H3/t13-,16-,17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166232
((2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-phenylamino-8-v...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C=C)nc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C18H19N5O4/c1-2-12-22-13-16(21-10-6-4-3-5-7-10)19-9-20-17(13)23(12)18-15(26)14(25)11(8-24)27-18/h2-7,9,11,14-15,18,24-26H,1,8H2,(H,19,20,21)/t11-,14-,15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166241
((2R,3R,4S,5R)-2-[8-Chloro-6-(2,3-dihydro-indol-1-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Cl)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C18H18ClN5O4/c19-18-22-12-15(23-6-5-9-3-1-2-4-10(9)23)20-8-21-16(12)24(18)17-14(27)13(26)11(7-25)28-17/h1-4,8,11,13-14,17,25-27H,5-7H2/t11-,13-,14-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166245
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-purin-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-21-13-16(19-8-20-17(13)23)22-6-5-10-3-1-2-4-11(10)22/h1-4,8-9,12,14-15,18,24-26H,5-7H2/t12-,14-,15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166246
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-ethy...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(ncnc12)N1CCc2ccccc12)C#C Show InChI InChI=1S/C20H19N5O4/c1-2-14-23-15-18(24-8-7-11-5-3-4-6-12(11)24)21-10-22-19(15)25(14)20-17(28)16(27)13(9-26)29-20/h1,3-6,10,13,16-17,20,26-28H,7-9H2/t13-,16-,17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166228
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-iodo...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(I)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C18H18IN5O4/c19-18-22-12-15(23-6-5-9-3-1-2-4-10(9)23)20-8-21-16(12)24(18)17-14(27)13(26)11(7-25)28-17/h1-4,8,11,13-14,17,25-27H,5-7H2/t11-,13-,14-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166240
((2R,3S,4R,5R)-2-Hydroxymethyl-5-(8-methylsulfanyl-...)Show SMILES CSc1nc2c(Nc3ccccc3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H19N5O4S/c1-27-17-21-11-14(20-9-5-3-2-4-6-9)18-8-19-15(11)22(17)16-13(25)12(24)10(7-23)26-16/h2-6,8,10,12-13,16,23-25H,7H2,1H3,(H,18,19,20)/t10-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166231
((2R,3R,4S,5R)-2-[6,8-Bis-(2,3-dihydro-indol-1-yl)-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(ncnc12)N1CCc2ccccc12)N1CCc2ccccc12 Show InChI InChI=1S/C26H26N6O4/c33-13-19-21(34)22(35)25(36-19)32-24-20(29-26(32)31-12-10-16-6-2-4-8-18(16)31)23(27-14-28-24)30-11-9-15-5-1-3-7-17(15)30/h1-8,14,19,21-22,25,33-35H,9-13H2/t19-,21-,22-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166230
((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-fura...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(ncnc12)N1CCc2ccccc12)-c1ccco1 Show InChI InChI=1S/C22H21N5O5/c28-10-15-17(29)18(30)22(32-15)27-19(14-6-3-9-31-14)25-16-20(23-11-24-21(16)27)26-8-7-12-4-1-2-5-13(12)26/h1-6,9,11,15,17-18,22,28-30H,7-8,10H2/t15-,17-,18-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166236
((2R,3R,4S,5R)-2-(8-Chloro-6-phenylamino-purin-9-yl...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Cl)nc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C16H16ClN5O4/c17-16-21-10-13(20-8-4-2-1-3-5-8)18-7-19-14(10)22(16)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H,18,19,20)/t9-,11-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166243
((2R,3S,4R,5R)-2-Hydroxymethyl-5-(8-iodo-6-phenylam...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(I)nc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C16H16IN5O4/c17-16-21-10-13(20-8-4-2-1-3-5-8)18-7-19-14(10)22(16)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H,18,19,20)/t9-,11-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166235
((2R,3R,4S,5R)-2-(8-Furan-2-yl-6-phenylamino-purin-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(Nc3ccccc3)ncnc12)-c1ccco1 Show InChI InChI=1S/C20H19N5O5/c26-9-13-15(27)16(28)20(30-13)25-18(12-7-4-8-29-12)24-14-17(21-10-22-19(14)25)23-11-5-2-1-3-6-11/h1-8,10,13,15-16,20,26-28H,9H2,(H,21,22,23)/t13-,15-,16-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50166233
((2R,3R,4S,5R)-2-[8-(2,3-Dihydro-indol-1-yl)-6-phen...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(Nc3ccccc3)ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H24N6O4/c31-12-17-19(32)20(33)23(34-17)30-22-18(21(25-13-26-22)27-15-7-2-1-3-8-15)28-24(30)29-11-10-14-6-4-5-9-16(14)29/h1-9,13,17,19-20,23,31-33H,10-12H2,(H,25,26,27)/t17-,19-,20-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Human Recombinant Adenosine Kinase |
J Med Chem 48: 3389-99 (2005)
Article DOI: 10.1021/jm048968j
BindingDB Entry DOI: 10.7270/Q2RR1XRF |
More data for this
Ligand-Target Pair | |
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