Found 32 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)) | 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
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
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
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
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
| Article
PubMed
| n/a | n/a | 0.603 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
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
| Article
PubMed
| n/a | n/a | 3.02 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090854
((2R,3S,4R,5R)-2-(azidomethyl)-5-(4-chloro-5-iodo-7...)Show SMILES O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H]([C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C11H10ClIN6O3/c12-9-6-4(13)2-19(10(6)16-3-15-9)11-8(21)7(20)5(22-11)1-17-18-14/h2-3,5,7-8,11,20-21H,1H2/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
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.91 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM14486
((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 8.91 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090853
((2R,3R,4S,5R)-2-(4-Chloro-5-iodo-pyrrolo[2,3-d]pyr...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C11H11ClIN3O4/c12-9-6-4(13)1-16(10(6)15-3-14-9)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2/t5-,7-,8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090863
((2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H12IN7O3/c12-4-2-19(10-6(4)9(13)15-3-16-10)11-8(21)7(20)5(22-11)1-17-18-14/h2-3,5,7-8,11,20-21H,1H2,(H2,13,15,16)/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
| Article
PubMed
| n/a | n/a | 34.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090847
((2R,3R,4S,5R)-2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyr...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 |r| Show InChI InChI=1S/C11H13BrN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/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
Similars
| Article
PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090855
((2R,3R,4S,5R)-2-(5-Iodo-4-methylsulfanyl-pyrrolo[2...)Show SMILES CSc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H14IN3O3S/c1-5-8(17)9(18)12(19-5)16-3-6(13)7-10(16)14-4-15-11(7)20-2/h3-5,8-9,12,17-18H,1-2H3/t5-,8-,9-,12-/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 | 44.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090852
((2R,3R,4S,5R)-2-(5-Bromo-4-chloro-pyrrolo[2,3-d]py...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C11H11BrClN3O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)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
Similars
| Article
PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090864
((2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)Show SMILES CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H15IN4O3/c1-2-6-8(18)9(19)12(20-6)17-3-5(13)7-10(14)15-4-16-11(7)17/h3-4,6,8-9,12,18-19H,2H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090860
((2R,3R,4S,5R)-2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyr...)Show SMILES Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H12BrN7O3/c12-4-2-19(10-6(4)9(13)15-3-16-10)11-8(21)7(20)5(22-11)1-17-18-14/h2-3,5,7-8,11,20-21H,1H2,(H2,13,15,16)/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
| Article
PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090866
((2R,3R,4S,5R)-2-(4-Chloro-5-methylsulfanyl-pyrrolo...)Show SMILES CSc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(Cl)c12 |r| Show InChI InChI=1S/C12H14ClN3O3S/c1-5-8(17)9(18)12(19-5)16-3-6(20-2)7-10(13)14-4-15-11(7)16/h3-5,8-9,12,17-18H,1-2H3/t5-,8-,9-,12-/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 | 70.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090859
((2R,3S,4R,5R)-2-(azidomethyl)-5-(5-bromo-4-chloro-...)Show SMILES O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@H]([C@@H]1O)n1cc(Br)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C11H10BrClN6O3/c12-4-2-19(10-6(4)9(13)15-3-16-10)11-8(21)7(20)5(22-11)1-17-18-14/h2-3,5,7-8,11,20-21H,1H2/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
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090837
((2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](C=C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H13IN4O3/c1-2-6-8(18)9(19)12(20-6)17-3-5(13)7-10(14)15-4-16-11(7)17/h2-4,6,8-9,12,18-19H,1H2,(H2,14,15,16)/t6-,8-,9-,12-/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 |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50000300
((2R,3R,4S,5R)-2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyr...)Show SMILES Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13BrN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090857
((2R,3R,4S,5R)-2-(4-Amino-5-chloro-pyrrolo[2,3-d]py...)Show SMILES Nc1ncnc2n(cc(Cl)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13ClN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 208 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50049823
(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)Show SMILES Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090861
(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H13N5O3/c1-5-8(18)9(19)12(20-5)17-3-6(2-13)7-10(14)15-4-16-11(7)17/h3-5,8-9,12,18-19H,1H3,(H2,14,15,16)/t5-,8-,9-,12-/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 | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090838
((2R,3R,4S,5R)-2-(4-Chloro-5-iodo-pyrrolo[2,3-d]pyr...)Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C12H13ClIN3O4/c1-20-3-6-8(18)9(19)12(21-6)17-2-5(14)7-10(13)15-4-16-11(7)17/h2,4,6,8-9,12,18-19H,3H2,1H3/t6-,8-,9-,12-/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 | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090836
(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H15N5O4/c1-4-7(18)8(19)12(21-4)17-2-5(10(14)20)6-9(13)15-3-16-11(6)17/h2-4,7-8,12,18-19H,1H3,(H2,14,20)(H2,13,15,16)/t4-,7-,8-,12-/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 | 457 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50049820
(4-Amino-5-carboxamide-7-(D-ribofuranosyl)pyrrolo[2...)Show SMILES NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 467 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090856
((2R,3R,4S,5R)-2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyr...)Show SMILES CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H15BrN4O3/c1-2-6-8(18)9(19)12(20-6)17-3-5(13)7-10(14)15-4-16-11(7)17/h3-4,6,8-9,12,18-19H,2H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090840
((2R,3R,4S,5R)-2-(4-Chloro-5-methyl-pyrrolo[2,3-d]p...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C)c2c(Cl)ncnc12 |r| Show InChI InChI=1S/C12H14ClN3O3/c1-5-3-16(11-7(5)10(13)14-4-15-11)12-9(18)8(17)6(2)19-12/h3-4,6,8-9,12,17-18H,1-2H3/t6-,8-,9-,12-/m1/s1 | 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 | 537 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090846
(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-te...)Show SMILES CCOC(=O)c1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C14H18N4O5/c1-3-22-14(21)7-4-18(12-8(7)11(15)16-5-17-12)13-10(20)9(19)6(2)23-13/h4-6,9-10,13,19-20H,3H2,1-2H3,(H2,15,16,17)/t6-,9-,10-,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090865
((2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H15IN4O4/c1-20-3-6-8(18)9(19)12(21-6)17-2-5(13)7-10(14)15-4-16-11(7)17/h2,4,6,8-9,12,18-19H,3H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090848
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(5-iodo-4-(methy...)Show SMILES CNc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H15IN4O4/c1-14-10-7-5(13)2-17(11(7)16-4-15-10)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,1H3,(H,14,15,16)/t6-,8-,9-,12-/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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090841
((2R,3R,4S,5R)-2-(4-Amino-5-methylsulfanyl-pyrrolo[...)Show SMILES CSc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r| Show InChI InChI=1S/C12H16N4O3S/c1-5-8(17)9(18)12(19-5)16-3-6(20-2)7-10(13)14-4-15-11(7)16/h3-5,8-9,12,17-18H,1-2H3,(H2,13,14,15)/t5-,8-,9-,12-/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 | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090839
((2R,3R,4S,5R)-2-(5-Iodo-4-mercapto-pyrrolo[2,3-d]p...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c1nc[nH]c2=S |r| Show InChI InChI=1S/C11H12IN3O3S/c1-4-7(16)8(17)11(18-4)15-2-5(12)6-9(15)13-3-14-10(6)19/h2-4,7-8,11,16-17H,1H3,(H,13,14,19)/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
Similars
| Article
PubMed
| n/a | n/a | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50090851
((2R,3R,4S,5R)-2-(4-Amino-5-methyl-pyrrolo[2,3-d]py...)Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C12H16N4O3/c1-5-3-16(11-7(5)10(13)14-4-15-11)12-9(18)8(17)6(2)19-12/h3-4,6,8-9,12,17-18H,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/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 | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this
Ligand-Target Pair | |
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