Found 34 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
| 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
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090883
((1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylami...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H22N4O4/c28-12-17-19(29)20(30)23(31-17)27-11-16(14-7-3-1-4-8-14)18-21(24-13-25-22(18)27)26-15-9-5-2-6-10-15/h1-11,13,17,19-20,23,28-30H,12H2,(H,24,25,26)/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
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
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
| 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
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090880
(4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...)Show SMILES COc1ccc(cc1)-c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(cc3)C#N)c12 Show InChI InChI=1S/C25H23N5O4/c1-14-21(31)22(32)25(34-14)30-12-19(16-5-9-18(33-2)10-6-16)20-23(27-13-28-24(20)30)29-17-7-3-15(11-26)4-8-17/h3-10,12-14,21-22,25,31-32H,1-2H3,(H,27,28,29)/t14-,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
| 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
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090874
(2-[4-(4-Hydroxy-phenylamino)-5-phenyl-pyrrolo[2,3-...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(O)cc3)ncnc12 Show InChI InChI=1S/C23H22N4O4/c1-13-19(29)20(30)23(31-13)27-11-17(14-5-3-2-4-6-14)18-21(24-12-25-22(18)27)26-15-7-9-16(28)10-8-15/h2-13,19-20,23,28-30H,1H3,(H,24,25,26)/t13-,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
| 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
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090875
(2-[5-(4-Chloro-phenyl)-4-phenylamino-pyrrolo[2,3-d...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H21ClN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-7-9-15(24)10-8-14)18-21(25-12-26-22(18)28)27-16-5-3-2-4-6-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,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
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090900
(2-Azidomethyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,...)Show SMILES O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H21N7O3/c24-29-27-11-17-19(31)20(32)23(33-17)30-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)30)28-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,31-32H,11H2,(H,25,26,28)/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
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090901
(2-Methyl-5-(5-phenyl-4-p-tolylamino-pyrrolo[2,3-d]...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(C)cc3)ncnc12 Show InChI InChI=1S/C24H24N4O3/c1-14-8-10-17(11-9-14)27-22-19-18(16-6-4-3-5-7-16)12-28(23(19)26-13-25-22)24-21(30)20(29)15(2)31-24/h3-13,15,20-21,24,29-30H,1-2H3,(H,25,26,27)/t15-,20-,21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090895
((2R,3R,4S,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C23H21FN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-5-3-2-4-6-14)18-21(25-12-26-22(18)28)27-16-9-7-15(24)8-10-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,19-,20-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090889
(2-[4-(4-Chloro-phenylamino)-5-phenyl-pyrrolo[2,3-d...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(Cl)cc3)ncnc12 Show InChI InChI=1S/C23H21ClN4O3/c1-13-19(29)20(30)23(31-13)28-11-17(14-5-3-2-4-6-14)18-21(25-12-26-22(18)28)27-16-9-7-15(24)8-10-16/h2-13,19-20,23,29-30H,1H3,(H,25,26,27)/t13-,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
| PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090899
(2-[5-(4-Chloro-phenyl)-4-(4-chloro-phenylamino)-py...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccc(Cl)cc3)ncnc12 Show InChI InChI=1S/C23H20Cl2N4O3/c1-12-19(30)20(31)23(32-12)29-10-17(13-2-4-14(24)5-3-13)18-21(26-11-27-22(18)29)28-16-8-6-15(25)7-9-16/h2-12,19-20,23,30-31H,1H3,(H,26,27,28)/t12-,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
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090884
(2-(5-Furan-2-yl-4-phenylamino-pyrrolo[2,3-d]pyrimi...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccco2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C21H20N4O4/c1-12-17(26)18(27)21(29-12)25-10-14(15-8-5-9-28-15)16-19(22-11-23-20(16)25)24-13-6-3-2-4-7-13/h2-12,17-18,21,26-27H,1H3,(H,22,23,24)/t12-,17-,18-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090893
(2-[4-(4-Methoxy-phenylamino)-5-phenyl-pyrrolo[2,3-...)Show SMILES COc1ccc(Nc2ncnc3n(cc(-c4ccccc4)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C24H24N4O4/c1-14-20(29)21(30)24(32-14)28-12-18(15-6-4-3-5-7-15)19-22(25-13-26-23(19)28)27-16-8-10-17(31-2)11-9-16/h3-14,20-21,24,29-30H,1-2H3,(H,25,26,27)/t14-,20-,21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090897
(2-Aminomethyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H23N5O3/c24-11-17-19(29)20(30)23(31-17)28-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)28)27-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,29-30H,11,24H2,(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
Patents
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090898
(2-[5-Furan-2-yl-4-(4-methoxy-phenylamino)-pyrrolo[...)Show SMILES COc1ccc(Nc2ncnc3n(cc(-c4ccco4)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C22H22N4O5/c1-12-18(27)19(28)22(31-12)26-10-15(16-4-3-9-30-16)17-20(23-11-24-21(17)26)25-13-5-7-14(29-2)8-6-13/h3-12,18-19,22,27-28H,1-2H3,(H,23,24,25)/t12-,18-,19-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090890
(4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(cc3)C#N)ncnc12 Show InChI InChI=1S/C24H21N5O3/c1-14-20(30)21(31)24(32-14)29-12-18(16-5-3-2-4-6-16)19-22(26-13-27-23(19)29)28-17-9-7-15(11-25)8-10-17/h2-10,12-14,20-21,24,30-31H,1H3,(H,26,27,28)/t14-,20-,21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090891
(2-Methyl-5-[5-phenyl-4-(pyridin-3-ylamino)-pyrrolo...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3cccnc3)ncnc12 Show InChI InChI=1S/C22H21N5O3/c1-13-18(28)19(29)22(30-13)27-11-16(14-6-3-2-4-7-14)17-20(24-12-25-21(17)27)26-15-8-5-9-23-10-15/h2-13,18-19,22,28-29H,1H3,(H,24,25,26)/t13-,18-,19-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090879
(2-[5-(4-Fluoro-phenyl)-4-(4-fluoro-phenylamino)-py...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccc(F)cc2)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C23H20F2N4O3/c1-12-19(30)20(31)23(32-12)29-10-17(13-2-4-14(24)5-3-13)18-21(26-11-27-22(18)29)28-16-8-6-15(25)7-9-16/h2-12,19-20,23,30-31H,1H3,(H,26,27,28)/t12-,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
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090869
(2-(4-Benzylamino-5-phenyl-pyrrolo[2,3-d]pyrimidin-...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C24H24N4O3/c1-15-20(29)21(30)24(31-15)28-13-18(17-10-6-3-7-11-17)19-22(26-14-27-23(19)28)25-12-16-8-4-2-5-9-16/h2-11,13-15,20-21,24,29-30H,12H2,1H3,(H,25,26,27)/t15-,20-,21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090892
(5-Methyl-2-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]p...)Show SMILES C[C@@H]1C[C@@H](O)[C@@H](O1)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H22N4O2/c1-15-12-19(28)23(29-15)27-13-18(16-8-4-2-5-9-16)20-21(24-14-25-22(20)27)26-17-10-6-3-7-11-17/h2-11,13-15,19,23,28H,12H2,1H3,(H,24,25,26)/t15-,19-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090882
(2-Methyl-5-(2-methyl-5-phenyl-4-phenylamino-pyrrol...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)nc(C)nc12 Show InChI InChI=1S/C24H24N4O3/c1-14-20(29)21(30)24(31-14)28-13-18(16-9-5-3-6-10-16)19-22(25-15(2)26-23(19)28)27-17-11-7-4-8-12-17/h3-14,20-21,24,29-30H,1-2H3,(H,25,26,27)/t14-,20-,21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090873
(2-(5-Iodo-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C17H17IN4O3/c1-9-13(23)14(24)17(25-9)22-7-11(18)12-15(19-8-20-16(12)22)21-10-5-3-2-4-6-10/h2-9,13-14,17,23-24H,1H3,(H,19,20,21)/t9-,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
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090877
(2-Methyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]p...)Show SMILES C[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H22N4O2/c1-15-19(28)12-20(29-15)27-13-18(16-8-4-2-5-9-16)21-22(24-14-25-23(21)27)26-17-10-6-3-7-11-17/h2-11,13-15,19-20,28H,12H2,1H3,(H,24,25,26)/t15-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090894
(2-Hydroxymethyl-5-(5-iodo-4-phenylamino-pyrrolo[2,...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C17H17IN4O4/c18-10-6-22(17-14(25)13(24)11(7-23)26-17)16-12(10)15(19-8-20-16)21-9-4-2-1-3-5-9/h1-6,8,11,13-14,17,23-25H,7H2,(H,19,20,21)/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
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090872
(2-[4-(4-Hydroxy-phenylamino)-5-iodo-pyrrolo[2,3-d]...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccc(O)cc3)ncnc12 Show InChI InChI=1S/C17H17IN4O4/c1-8-13(24)14(25)17(26-8)22-6-11(18)12-15(19-7-20-16(12)22)21-9-2-4-10(23)5-3-9/h2-8,13-14,17,23-25H,1H3,(H,19,20,21)/t8-,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
| 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
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090870
(2-(4-Cyclohexylamino-5-phenyl-pyrrolo[2,3-d]pyrimi...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NC3CCCCC3)ncnc12 Show InChI InChI=1S/C23H28N4O3/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/h2,4-5,8-9,12-14,16,19-20,23,28-29H,3,6-7,10-11H2,1H3,(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
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090888
(2-Hydroxymethyl-5-(5-phenyl-4-phenylamino-pyrrolo[...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C23H22N4O3/c28-13-19-18(29)11-20(30-19)27-12-17(15-7-3-1-4-8-15)21-22(24-14-25-23(21)27)26-16-9-5-2-6-10-16/h1-10,12,14,18-20,28-29H,11,13H2,(H,24,25,26)/t18-,19+,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090871
(2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(N)ncnc12 Show InChI InChI=1S/C17H18N4O3/c1-9-13(22)14(23)17(24-9)21-7-11(10-5-3-2-4-6-10)12-15(18)19-8-20-16(12)21/h2-9,13-14,17,22-23H,1H3,(H2,18,19,20)/t9-,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
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090885
(2-[4-(4-Fluoro-phenylamino)-5-iodo-pyrrolo[2,3-d]p...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C17H16FIN4O3/c1-8-13(24)14(25)17(26-8)23-6-11(19)12-15(20-7-21-16(12)23)22-10-4-2-9(18)3-5-10/h2-8,13-14,17,24-25H,1H3,(H,20,21,22)/t8-,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
| PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090886
(2-[5-Iodo-4-(4-methoxy-phenylamino)-pyrrolo[2,3-d]...)Show SMILES COc1ccc(Nc2ncnc3n(cc(I)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C18H19IN4O4/c1-9-14(24)15(25)18(27-9)23-7-12(19)13-16(20-8-21-17(13)23)22-10-3-5-11(26-2)6-4-10/h3-9,14-15,18,24-25H,1-2H3,(H,20,21,22)/t9-,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
| PubMed
| n/a | n/a | 775 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090896
(2-(4-Benzylamino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C18H19IN4O3/c1-10-14(24)15(25)18(26-10)23-8-12(19)13-16(21-9-22-17(13)23)20-7-11-5-3-2-4-6-11/h2-6,8-10,14-15,18,24-25H,7H2,1H3,(H,20,21,22)/t10-,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
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090876
(4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccc(cc3)C#N)ncnc12 Show InChI InChI=1S/C18H16IN5O3/c1-9-14(25)15(26)18(27-9)24-7-12(19)13-16(21-8-22-17(13)24)23-11-4-2-10(6-20)3-5-11/h2-5,7-9,14-15,18,25-26H,1H3,(H,21,22,23)/t9-,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
| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090878
(2-Hydroxymethyl-5-(4-phenylamino-pyrrolo[2,3-d]pyr...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C17H18N4O4/c22-8-12-13(23)14(24)17(25-12)21-7-6-11-15(18-9-19-16(11)21)20-10-4-2-1-3-5-10/h1-7,9,12-14,17,22-24H,8H2,(H,18,19,20)/t12-,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
| PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090868
(2-(4-Cyclohexylamino-5-iodo-pyrrolo[2,3-d]pyrimidi...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(NC3CCCCC3)ncnc12 Show InChI InChI=1S/C17H23IN4O3/c1-9-13(23)14(24)17(25-9)22-7-11(18)12-15(19-8-20-16(12)22)21-10-5-3-2-4-6-10/h7-10,13-14,17,23-24H,2-6H2,1H3,(H,19,20,21)/t9-,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
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human adenosine kinase |
J Med Chem 43: 2894-905 (2000)
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP |
More data for this
Ligand-Target Pair | |
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