Found 249 hits with Last Name = 'ugarkar' and Initial = 'bg' 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)) | BDBM50090867
((2R,3S,4R,5R)-2-(aminomethyl)-5-(4-chloro-5-iodo-7...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C11H12ClIN4O3/c12-9-6-4(13)2-17(10(6)16-3-15-9)11-8(19)7(18)5(1-14)20-11/h2-3,5,7-8,11,18-19H,1,14H2/t5-,7-,8-,11-/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 | 0.100 | 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: 2883-93 (2000)
BindingDB Entry DOI: 10.7270/Q2XG9QCV |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090843
((1R,5S)-2-((3R,4aR)-4-Amino-5-bromo-pyrrolo[2,3-d]...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14BrN5O3/c12-4-2-17(10-6(4)9(14)15-3-16-10)11-8(19)7(18)5(1-13)20-11/h2-3,5,7-8,11,18-19H,1,13H2,(H2,14,15,16)/t5-,7-,8-,11-/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 | 0.200 | 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: 2883-93 (2000)
BindingDB Entry DOI: 10.7270/Q2XG9QCV |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178014
(CHEMBL370164 | N-(4-chlorophenyl)-2-(5-phenyl-7-(5...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)Nc3ccc(Cl)cc3)ncnc12 Show InChI InChI=1S/C25H24ClN5O4/c1-14-21(33)22(34)25(35-14)31-12-18(15-5-3-2-4-6-15)20-23(28-13-29-24(20)31)27-11-19(32)30-17-9-7-16(26)8-10-17/h2-10,12-14,21-22,25,33-34H,11H2,1H3,(H,30,32)(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
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50174602
((4R,5R,6S)-5-[4-(4-Fluoro-phenylamino)-5-phenyl-py...)Show SMILES O[C@@H]1[C@H](O)C2(CC2)O[C@H]1n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C24H21FN4O3/c25-15-6-8-16(9-7-15)28-21-18-17(14-4-2-1-3-5-14)12-29(22(18)27-13-26-21)23-19(30)20(31)24(32-23)10-11-24/h1-9,12-13,19-20,23,30-31H,10-11H2,(H,26,27,28)/t19-,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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50134740
((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+/m0/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 | 0.470 | 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 46: 4750-60 (2003)
Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50134740
((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+/m0/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 | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
More data for this
Ligand-Target Pair | |
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 recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
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)) | BDBM50178003
(CHEMBL370011 | N-cyclopropyl-2-(5-phenyl-7-(5-deox...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=S)NC3CC3)ncnc12 Show InChI InChI=1S/C22H25N5O3S/c1-12-18(28)19(29)22(30-12)27-10-15(13-5-3-2-4-6-13)17-20(24-11-25-21(17)27)23-9-16(31)26-14-7-8-14/h2-6,10-12,14,18-19,22,28-29H,7-9H2,1H3,(H,26,31)(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
| 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 recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
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 concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178015
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)Nc3ccccc3)ncnc12 Show InChI InChI=1S/C25H25N5O4/c1-15-21(32)22(33)25(34-15)30-13-18(16-8-4-2-5-9-16)20-23(27-14-28-24(20)30)26-12-19(31)29-17-10-6-3-7-11-17/h2-11,13-15,21-22,25,32-33H,12H2,1H3,(H,29,31)(H,26,27,28)/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 | 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 recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
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)) | BDBM50090862
((1R,5S)-2-((3R,4aR)-4-Amino-5-iodo-pyrrolo[2,3-d]p...)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H14IN5O3/c12-4-2-17(10-6(4)9(14)15-3-16-10)11-8(19)7(18)5(1-13)20-11/h2-3,5,7-8,11,18-19H,1,13H2,(H2,14,15,16)/t5-,7-,8-,11-/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 | 0.600 | 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: 2883-93 (2000)
BindingDB Entry DOI: 10.7270/Q2XG9QCV |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178007
(2-(5-phenyl-7-(beta-D-erythrofuranosyl)-pyrrolo[2,...)Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)Nc3ccccc3)ncnc12 Show InChI InChI=1S/C24H23N5O4/c30-18-13-33-24(21(18)32)29-12-17(15-7-3-1-4-8-15)20-22(26-14-27-23(20)29)25-11-19(31)28-16-9-5-2-6-10-16/h1-10,12,14,18,21,24,30,32H,11,13H2,(H,28,31)(H,25,26,27)/t18-,21-,24-/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178023
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES CNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H23N5O4/c1-11-16(27)17(28)20(29-11)25-9-13(12-6-4-3-5-7-12)15-18(22-8-14(26)21-2)23-10-24-19(15)25/h3-7,9-11,16-17,20,27-28H,8H2,1-2H3,(H,21,26)(H,22,23,24)/t11-,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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50134753
((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+/m0/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 | 0.800 | 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 46: 4750-60 (2003)
Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9 |
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)) | 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
| Article
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
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50134753
((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+/m0/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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178018
(2-(3-phenyl-1-(beta-D-ribofuranosyl)-pyrazolo[3,4-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nc(-c2ccccc2)c2c(NCC(=O)Nc3ccccc3)ncnc12 Show InChI InChI=1S/C24H24N6O5/c31-12-16-20(33)21(34)24(35-16)30-23-18(19(29-30)14-7-3-1-4-8-14)22(26-13-27-23)25-11-17(32)28-15-9-5-2-6-10-15/h1-10,13,16,20-21,24,31,33-34H,11-12H2,(H,28,32)(H,25,26,27)/t16-,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
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
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)) | 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 | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50498068
(CHEMBL3394234)Show SMILES CC(C)c1ccc(COc2cccc-3c2CCc2c-3[nH]c(=O)c(C#N)c2-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C31H26N2O4/c1-18(2)20-8-6-19(7-9-20)17-37-27-5-3-4-24-23(27)14-15-25-28(26(16-32)30(34)33-29(24)25)21-10-12-22(13-11-21)31(35)36/h3-13,18H,14-15,17H2,1-2H3,(H,33,34)(H,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay |
J Med Chem 58: 753-66 (2015)
Article DOI: 10.1021/jm5012947
BindingDB Entry DOI: 10.7270/Q2JS9TD7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178027
(CHEMBL438449 | N-cyclopentyl-2-(5-phenyl-7-(5-deox...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H29N5O4/c1-14-20(31)21(32)24(33-14)29-12-17(15-7-3-2-4-8-15)19-22(26-13-27-23(19)29)25-11-18(30)28-16-9-5-6-10-16/h2-4,7-8,12-14,16,20-21,24,31-32H,5-6,9-11H2,1H3,(H,28,30)(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
| 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 recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50174603
((1R,2R,3R)-2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl...)Show SMILES Cc1ccccc1-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc4OCCOc4c3)c12 Show InChI InChI=1S/C25H24N4O5/c1-14-4-2-3-5-16(14)17-11-29(25-22(31)18(30)12-34-25)24-21(17)23(26-13-27-24)28-15-6-7-19-20(10-15)33-9-8-32-19/h2-7,10-11,13,18,22,25,30-31H,8-9,12H2,1H3,(H,26,27,28)/t18-,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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
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)) | BDBM50178013
(CHEMBL372796 | N1-cyclopropyl-N2-(5-phenyl-7-(5-de...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NC(=O)C(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C22H23N5O5/c1-11-16(28)17(29)22(32-11)27-9-14(12-5-3-2-4-6-12)15-18(23-10-24-19(15)27)26-21(31)20(30)25-13-7-8-13/h2-6,9-11,13,16-17,22,28-29H,7-8H2,1H3,(H,25,30)(H,23,24,26,31)/t11-,16-,17-,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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178019
(CHEMBL370654 | N-cyclobutyl-2-(5-phenyl-7-(5-deoxy...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NC3CCC3)ncnc12 Show InChI InChI=1S/C23H27N5O4/c1-13-19(30)20(31)23(32-13)28-11-16(14-6-3-2-4-7-14)18-21(25-12-26-22(18)28)24-10-17(29)27-15-8-5-9-15/h2-4,6-7,11-13,15,19-20,23,30-31H,5,8-10H2,1H3,(H,27,29)(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
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
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
| Article
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
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
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)) | 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)) | BDBM50134756
((2S,3S,4R,5R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl...)Show SMILES OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12 Show InChI InChI=1S/C23H21FN4O4/c24-14-6-8-15(9-7-14)27-21-18-16(13-4-2-1-3-5-13)10-28(22(18)26-12-25-21)23-20(31)19(30)17(11-29)32-23/h1-10,12,17,19-20,23,29-31H,11H2,(H,25,26,27)/t17-,19+,20+,23+/m0/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 | 1.5 | 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 46: 4750-60 (2003)
Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9 |
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 | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50498093
(CHEMBL3394236)Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N Show InChI InChI=1S/C26H17N3O5S/c27-14-20-23(21-15-34-22-9-5-4-8-19(22)24(21)28-26(20)31)16-10-12-17(13-11-16)25(30)29-35(32,33)18-6-2-1-3-7-18/h1-13H,15H2,(H,28,31)(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay |
J Med Chem 58: 753-66 (2015)
Article DOI: 10.1021/jm5012947
BindingDB Entry DOI: 10.7270/Q2JS9TD7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50177990
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(N)=O)ncnc12 Show InChI InChI=1S/C19H21N5O4/c1-10-15(26)16(27)19(28-10)24-8-12(11-5-3-2-4-6-11)14-17(21-7-13(20)25)22-9-23-18(14)24/h2-6,8-10,15-16,19,26-27H,7H2,1H3,(H2,20,25)(H,21,22,23)/t10-,15-,16-,19-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178005
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES COCCCNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C23H29N5O5/c1-14-19(30)20(31)23(33-14)28-12-16(15-7-4-3-5-8-15)18-21(26-13-27-22(18)28)25-11-17(29)24-9-6-10-32-2/h3-5,7-8,12-14,19-20,23,30-31H,6,9-11H2,1-2H3,(H,24,29)(H,25,26,27)/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50174594
((1R,2R,3R)-2-[4-(3-Ethoxy-phenylamino)-5-phenyl-py...)Show SMILES CCOc1cccc(Nc2ncnc3n(cc(-c4ccccc4)c23)[C@@H]2OC[C@@H](O)[C@H]2O)c1 Show InChI InChI=1S/C24H24N4O4/c1-2-31-17-10-6-9-16(11-17)27-22-20-18(15-7-4-3-5-8-15)12-28(23(20)26-14-25-22)24-21(30)19(29)13-32-24/h3-12,14,19,21,24,29-30H,2,13H2,1H3,(H,25,26,27)/t19-,21-,24-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50498069
(CHEMBL3394233)Show SMILES OC(=O)c1ccc(cc1)-c1c2CCc3c(cccc3-c2[nH]c(=O)c1C#N)-c1cn[nH]c1 Show InChI InChI=1S/C24H16N4O3/c25-10-20-21(13-4-6-14(7-5-13)24(30)31)19-9-8-17-16(15-11-26-27-12-15)2-1-3-18(17)22(19)28-23(20)29/h1-7,11-12H,8-9H2,(H,26,27)(H,28,29)(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay |
J Med Chem 58: 753-66 (2015)
Article DOI: 10.1021/jm5012947
BindingDB Entry DOI: 10.7270/Q2JS9TD7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50174591
(4-[7-((1R,2R,3R)-3,4-Dihydroxy-tetrahydro-furan-2-...)Show SMILES CCOc1ccc(cc1)-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(cc3)C#N)c12 Show InChI InChI=1S/C25H23N5O4/c1-2-33-18-9-5-16(6-10-18)19-12-30(25-22(32)20(31)13-34-25)24-21(19)23(27-14-28-24)29-17-7-3-15(11-26)4-8-17/h3-10,12,14,20,22,25,31-32H,2,13H2,1H3,(H,27,28,29)/t20-,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 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
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)) | BDBM50134751
((2R,3R,4S,5S)-2-Hydroxymethyl-5-(3-phenyl-4-phenyl...)Show SMILES OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1nc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C22H21N5O4/c28-11-15-18(29)19(30)22(31-15)27-21-16(17(26-27)13-7-3-1-4-8-13)20(23-12-24-21)25-14-9-5-2-6-10-14/h1-10,12,15,18-19,22,28-30H,11H2,(H,23,24,25)/t15-,18+,19+,22+/m0/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 | 2.80 | 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 46: 4750-60 (2003)
Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090844
((2R,3R,4S,5R)-2-(4-Chloro-5-iodo-pyrrolo[2,3-d]pyr...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C11H11ClIN3O3/c1-4-7(17)8(18)11(19-4)16-2-5(13)6-9(12)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3/t4-,7-,8-,11-/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 | 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: 2883-93 (2000)
BindingDB Entry DOI: 10.7270/Q2XG9QCV |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50498070
(CHEMBL3394163)Show SMILES OC(=O)c1ccc(cc1)-c1c2CCc3c(O)cccc3-c2[nH]c(=O)c1C#N Show InChI InChI=1S/C21H14N2O4/c22-10-16-18(11-4-6-12(7-5-11)21(26)27)15-9-8-13-14(2-1-3-17(13)24)19(15)23-20(16)25/h1-7,24H,8-9H2,(H,23,25)(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay |
J Med Chem 58: 753-66 (2015)
Article DOI: 10.1021/jm5012947
BindingDB Entry DOI: 10.7270/Q2JS9TD7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178010
(4-N-(N-cyclopropylcarbamoylmethyl)amino-5-phenyl-7...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C22H25N5O4/c1-12-18(29)19(30)22(31-12)27-10-15(13-5-3-2-4-6-13)17-20(24-11-25-21(17)27)23-9-16(28)26-14-7-8-14/h2-6,10-12,14,18-19,22,29-30H,7-9H2,1H3,(H,26,28)(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
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50178008
(CHEMBL198635 | N-cyclopropyl-2-(5-phenyl-7-(beta-D...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C22H25N5O5/c28-10-15-18(30)19(31)22(32-15)27-9-14(12-4-2-1-3-5-12)17-20(24-11-25-21(17)27)23-8-16(29)26-13-6-7-13/h1-5,9,11,13,15,18-19,22,28,30-31H,6-8,10H2,(H,26,29)(H,23,24,25)/t15-,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
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against recombinant human adenosine kinase |
J Med Chem 48: 7808-20 (2005)
Article DOI: 10.1021/jm050394a
BindingDB Entry DOI: 10.7270/Q22V2FPZ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50174599
((1R,2R,3R)-2-[4-(4-Ethoxy-phenylamino)-5-phenyl-py...)Show SMILES CCOc1ccc(Nc2ncnc3n(cc(-c4ccccc4)c23)[C@@H]2OC[C@@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C24H24N4O4/c1-2-31-17-10-8-16(9-11-17)27-22-20-18(15-6-4-3-5-7-15)12-28(23(20)26-14-25-22)24-21(30)19(29)13-32-24/h3-12,14,19,21,24,29-30H,2,13H2,1H3,(H,25,26,27)/t19-,21-,24-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand |
J Med Chem 48: 6430-41 (2005)
Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS |
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 | |
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