Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50017141 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)) | 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)) | 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)) | 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
| 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | BDBM50178021
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES CC(C)CNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C23H29N5O4/c1-13(2)9-24-17(29)10-25-21-18-16(15-7-5-4-6-8-15)11-28(22(18)27-12-26-21)23-20(31)19(30)14(3)32-23/h4-8,11-14,19-20,23,30-31H,9-10H2,1-3H3,(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 | 4 | 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)) | BDBM50177994
(4-N-(propoxycarbonyl)amino-5-phenyl-7-(5-deoxy-bet...)Show SMILES CCCOC(=O)Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C21H24N4O5/c1-3-9-29-21(28)24-18-15-14(13-7-5-4-6-8-13)10-25(19(15)23-11-22-18)20-17(27)16(26)12(2)30-20/h4-8,10-12,16-17,20,26-27H,3,9H2,1-2H3,(H,22,23,24,28)/t12-,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 | 4 | 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)) | BDBM50177992
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES CCONC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C21H25N5O5/c1-3-30-25-15(27)9-22-19-16-14(13-7-5-4-6-8-13)10-26(20(16)24-11-23-19)21-18(29)17(28)12(2)31-21/h4-8,10-12,17-18,21,28-29H,3,9H2,1-2H3,(H,25,27)(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
Similars
| Article
PubMed
| n/a | n/a | 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)) | BDBM50177998
(CHEMBL381229 | N-(cyclopropylmethyl)-2-(5-phenyl-7...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NCC3CC3)ncnc12 Show InChI InChI=1S/C23H27N5O4/c1-13-19(30)20(31)23(32-13)28-11-16(15-5-3-2-4-6-15)18-21(26-12-27-22(18)28)25-10-17(29)24-9-14-7-8-14/h2-6,11-14,19-20,23,30-31H,7-10H2,1H3,(H,24,29)(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
| Article
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
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)) | BDBM50177997
(CHEMBL436096 | N-cyclopropyl-2-(3-phenyl-1-(5-deox...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nc(-c2ccccc2)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C21H24N6O4/c1-11-17(29)18(30)21(31-11)27-20-15(16(26-27)12-5-3-2-4-6-12)19(23-10-24-20)22-9-14(28)25-13-7-8-13/h2-6,10-11,13,17-18,21,29-30H,7-9H2,1H3,(H,25,28)(H,22,23,24)/t11-,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 | 6 | 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)) | BDBM50178022
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES CCCNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H27N5O4/c1-3-9-23-16(28)10-24-20-17-15(14-7-5-4-6-8-14)11-27(21(17)26-12-25-20)22-19(30)18(29)13(2)31-22/h4-8,11-13,18-19,22,29-30H,3,9-10H2,1-2H3,(H,23,28)(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
| Article
PubMed
| n/a | n/a | 7 | 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)) | BDBM50177987
(CHEMBL200457 | N-cyclopropyl-2-(3-phenyl-1-(beta-D...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nc(-c2ccccc2)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C21H24N6O5/c28-9-13-17(30)18(31)21(32-13)27-20-15(16(26-27)11-4-2-1-3-5-11)19(23-10-24-20)22-8-14(29)25-12-6-7-12/h1-5,10,12-13,17-18,21,28,30-31H,6-9H2,(H,25,29)(H,22,23,24)/t13-,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 | 10 | 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)) | BDBM50178011
(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)NCCCO)ncnc12 Show InChI InChI=1S/C22H27N5O5/c1-13-18(30)19(31)22(32-13)27-11-15(14-6-3-2-4-7-14)17-20(25-12-26-21(17)27)24-10-16(29)23-8-5-9-28/h2-4,6-7,11-13,18-19,22,28,30-31H,5,8-10H2,1H3,(H,23,29)(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
| Article
PubMed
| n/a | n/a | 16 | 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)) | BDBM50177988
(CHEMBL200196 | N-cyclopropyl-2-(5-phenyl-7-(beta-D...)Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C21H23N5O4/c27-15-10-30-21(18(15)29)26-9-14(12-4-2-1-3-5-12)17-19(23-11-24-20(17)26)22-8-16(28)25-13-6-7-13/h1-5,9,11,13,15,18,21,27,29H,6-8,10H2,(H,25,28)(H,22,23,24)/t15-,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 | 20 | 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)) | BDBM50178004
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES CC(C)NC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H27N5O4/c1-12(2)26-16(28)9-23-20-17-15(14-7-5-4-6-8-14)10-27(21(17)25-11-24-20)22-19(30)18(29)13(3)31-22/h4-8,10-13,18-19,22,29-30H,9H2,1-3H3,(H,26,28)(H,23,24,25)/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
| Article
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
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)) | BDBM50177999
(4-N-(3-N-methylureido)-5-phenyl-7-(5-deoxy-beta-D-...)Show SMILES CNC(=O)Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H21N5O4/c1-10-14(25)15(26)18(28-10)24-8-12(11-6-4-3-5-7-11)13-16(23-19(27)20-2)21-9-22-17(13)24/h3-10,14-15,18,25-26H,1-2H3,(H2,20,21,22,23,27)/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
| Article
PubMed
| n/a | n/a | 27 | 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)) | BDBM50178020
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES COCCNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H27N5O5/c1-13-18(29)19(30)22(32-13)27-11-15(14-6-4-3-5-7-14)17-20(25-12-26-21(17)27)24-10-16(28)23-8-9-31-2/h3-7,11-13,18-19,22,29-30H,8-10H2,1-2H3,(H,23,28)(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
| Article
PubMed
| n/a | n/a | 38 | 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)) | BDBM50178025
(2-(5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)-pyrro...)Show SMILES CCNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C21H25N5O4/c1-3-22-15(27)9-23-19-16-14(13-7-5-4-6-8-13)10-26(20(16)25-11-24-19)21-18(29)17(28)12(2)30-21/h4-8,10-12,17-18,21,28-29H,3,9H2,1-2H3,(H,22,27)(H,23,24,25)/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
Similars
| Article
PubMed
| n/a | n/a | 40 | 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)) | BDBM50178017
(4-(cyclopropylmethylamino)-5-phenyl-7-(5-deoxy-bet...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC3CC3)ncnc12 Show InChI InChI=1S/C21H24N4O3/c1-12-17(26)18(27)21(28-12)25-10-15(14-5-3-2-4-6-14)16-19(22-9-13-7-8-13)23-11-24-20(16)25/h2-6,10-13,17-18,21,26-27H,7-9H2,1H3,(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
Similars
| Article
PubMed
| n/a | n/a | 45 | 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)) | BDBM50178016
(CHEMBL199371 | N-(4-chlorophenyl)-2-(7-((2-hydroxy...)Show SMILES OCCOCn1cc(-c2ccccc2)c2c(NCC(=O)Nc3ccc(Cl)cc3)ncnc12 Show InChI InChI=1S/C23H22ClN5O3/c24-17-6-8-18(9-7-17)28-20(31)12-25-22-21-19(16-4-2-1-3-5-16)13-29(15-32-11-10-30)23(21)27-14-26-22/h1-9,13-14,30H,10-12,15H2,(H,28,31)(H,25,26,27) | 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 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)) | BDBM50178024
(5-phenyl-4-(propylamino)-7-(5-deoxy-beta-D-ribofur...)Show SMILES CCCNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H24N4O3/c1-3-9-21-18-15-14(13-7-5-4-6-8-13)10-24(19(15)23-11-22-18)20-17(26)16(25)12(2)27-20/h4-8,10-12,16-17,20,25-26H,3,9H2,1-2H3,(H,21,22,23)/t12-,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 | 100 | 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)) | BDBM50178006
(4-(isobutylamino)-5-phenyl-7-(5-deoxy-beta-D-ribof...)Show SMILES CC(C)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C21H26N4O3/c1-12(2)9-22-19-16-15(14-7-5-4-6-8-14)10-25(20(16)24-11-23-19)21-18(27)17(26)13(3)28-21/h4-8,10-13,17-18,21,26-27H,9H2,1-3H3,(H,22,23,24)/t13-,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 | 140 | 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)) | BDBM50177995
(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)NCCCN(C)C)ncnc12 Show InChI InChI=1S/C24H32N6O4/c1-15-20(32)21(33)24(34-15)30-13-17(16-8-5-4-6-9-16)19-22(27-14-28-23(19)30)26-12-18(31)25-10-7-11-29(2)3/h4-6,8-9,13-15,20-21,24,32-33H,7,10-12H2,1-3H3,(H,25,31)(H,26,27,28)/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
| Article
PubMed
| n/a | n/a | 145 | 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)) | BDBM50177996
(CHEMBL198698 | N-(2-(diethylamino)ethyl)-2-(5-phen...)Show SMILES CCN(CC)CCNC(=O)CNc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Show InChI InChI=1S/C25H34N6O4/c1-4-30(5-2)12-11-26-19(32)13-27-23-20-18(17-9-7-6-8-10-17)14-31(24(20)29-15-28-23)25-22(34)21(33)16(3)35-25/h6-10,14-16,21-22,25,33-34H,4-5,11-13H2,1-3H3,(H,26,32)(H,27,28,29)/t16-,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 | 210 | 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)) | BDBM50178012
(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)NCCN(C)C)ncnc12 Show InChI InChI=1S/C23H30N6O4/c1-14-19(31)20(32)23(33-14)29-12-16(15-7-5-4-6-8-15)18-21(26-13-27-22(18)29)25-11-17(30)24-9-10-28(2)3/h4-8,12-14,19-20,23,31-32H,9-11H2,1-3H3,(H,24,30)(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 | 300 | 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)) | 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
| Article
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
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)) | BDBM50178002
(4-(cyclopropylamino)-5-phenyl-7-(5-deoxy-beta-D-ri...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NC3CC3)ncnc12 Show InChI InChI=1S/C20H22N4O3/c1-11-16(25)17(26)20(27-11)24-9-14(12-5-3-2-4-6-12)15-18(23-13-7-8-13)21-10-22-19(15)24/h2-6,9-11,13,16-17,20,25-26H,7-8H2,1H3,(H,21,22,23)/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 | 380 | 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)) | BDBM50178026
(CHEMBL372155 | 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(=O)N(C)C3CC3)ncnc12 Show InChI InChI=1S/C23H27N5O4/c1-13-19(30)20(31)23(32-13)28-11-16(14-6-4-3-5-7-14)18-21(25-12-26-22(18)28)24-10-17(29)27(2)15-8-9-15/h3-7,11-13,15,19-20,23,30-31H,8-10H2,1-2H3,(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 | 460 | 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)) | BDBM50178001
((S)-N-cyclopropyl-2-(5-phenyl-7-(5-deoxy-beta-D-ri...)Show SMILES C[C@H](Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O)C(=O)NC1CC1 Show InChI InChI=1S/C23H27N5O4/c1-12(22(31)27-15-8-9-15)26-20-17-16(14-6-4-3-5-7-14)10-28(21(17)25-11-24-20)23-19(30)18(29)13(2)32-23/h3-7,10-13,15,18-19,23,29-30H,8-9H2,1-2H3,(H,27,31)(H,24,25,26)/t12-,13+,18+,19+,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 | 530 | 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)) | BDBM50178009
(CHEMBL200352 | N-cyclopropyl-2-(5-iodo-7-(5-deoxy-...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C16H20IN5O4/c1-7-12(24)13(25)16(26-7)22-5-9(17)11-14(19-6-20-15(11)22)18-4-10(23)21-8-2-3-8/h5-8,12-13,16,24-25H,2-4H2,1H3,(H,21,23)(H,18,19,20)/t7-,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 | 880 | 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)) | 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
| Article
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
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)) | BDBM50177989
(4-N-(N-cyclopropylcarbamoylmethyl)amino-5-phenyl-7...)Show SMILES OCCOCn1cc(-c2ccccc2)c2c(NCC(=O)NC3CC3)ncnc12 Show InChI InChI=1S/C20H23N5O3/c26-8-9-28-13-25-11-16(14-4-2-1-3-5-14)18-19(22-12-23-20(18)25)21-10-17(27)24-15-6-7-15/h1-5,11-12,15,26H,6-10,13H2,(H,24,27)(H,21,22,23) | 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 | 1.70E+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)) | BDBM50177991
((R)-N-cyclopropyl-2-(5-phenyl-7-(5-deoxy-beta-D-ri...)Show SMILES C[C@@H](Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O)C(=O)NC1CC1 Show InChI InChI=1S/C23H27N5O4/c1-12(22(31)27-15-8-9-15)26-20-17-16(14-6-4-3-5-7-14)10-28(21(17)25-11-24-20)23-19(30)18(29)13(2)32-23/h3-7,10-13,15,18-19,23,29-30H,8-9H2,1-2H3,(H,27,31)(H,24,25,26)/t12-,13-,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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against 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)) | BDBM50177993
(3-(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(NCCC(N)=O)ncnc12 Show InChI InChI=1S/C20H23N5O4/c1-11-16(27)17(28)20(29-11)25-9-13(12-5-3-2-4-6-12)15-18(22-8-7-14(21)26)23-10-24-19(15)25/h2-6,9-11,16-17,20,27-28H,7-8H2,1H3,(H2,21,26)(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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against 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)) | BDBM50178000
(CHEMBL371549 | N-cyclopropyl-2-(5-phenyl-7H-pyrrol...)Show InChI InChI=1S/C17H17N5O/c23-14(22-12-6-7-12)9-19-17-15-13(11-4-2-1-3-5-11)8-18-16(15)20-10-21-17/h1-5,8,10,12H,6-7,9H2,(H,22,23)(H2,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
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
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 | |
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