Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50013592 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)) | BDBM50132280
(5-(3-Bromo-phenyl)-7-{6-[4-(tetrahydro-pyran-4-ylo...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(COC2CCOCC2)CC1 Show InChI InChI=1S/C28H30BrN7O2/c29-20-3-1-2-19(14-20)22-15-24(33-28-26(22)27(30)31-17-32-28)23-4-5-25(35-34-23)36-10-6-18(7-11-36)16-38-21-8-12-37-13-9-21/h1-5,14-15,17-18,21H,6-13,16H2,(H2,30,31,32,33) | 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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132273
(1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@H](O)[C@H](O)C1 Show InChI InChI=1S/C22H19BrN6O2/c23-14-3-1-2-12(6-14)15-7-16(28-22-20(15)21(24)26-11-27-22)13-4-5-19(25-8-13)29-9-17(30)18(31)10-29/h1-8,11,17-18,30-31H,9-10H2,(H2,24,26,27,28)/t17-,18+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132275
(1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C27H27BrN8O2/c28-18-3-1-2-17(14-18)21-15-23(32-27-25(21)26(29)30-16-31-27)22-4-5-24(34-33-22)36-10-6-19(7-11-36)35-38-20-8-12-37-13-9-20/h1-5,14-16,20H,6-13H2,(H2,29,30,31,32) | 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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132279
(5-(3-Bromo-phenyl)-7-[6-(3,4-diethoxy-pyrrolidin-1...)Show SMILES CCO[C@@H]1CN(C[C@@H]1OCC)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-3-34-20-12-33(13-21(20)35-4-2)22-9-8-18(31-32-22)19-11-17(15-6-5-7-16(26)10-15)23-24(27)28-14-29-25(23)30-19/h5-11,14,20-21H,3-4,12-13H2,1-2H3,(H2,27,28,29,30)/t20-,21+ | 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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132281
(1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@@H](O)[C@H](C1)C#N Show InChI InChI=1S/C23H18BrN7O/c24-16-3-1-2-13(6-16)17-7-18(30-23-21(17)22(26)28-12-29-23)14-4-5-20(27-9-14)31-10-15(8-25)19(32)11-31/h1-7,9,12,15,19,32H,10-11H2,(H2,26,28,29,30)/t15-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132272
(5-(3-Bromo-phenyl)-7-[6-(2-oxa-5-aza-bicyclo[2.2.1...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CC2CC1CO2 Show InChI InChI=1S/C23H19BrN6O/c24-15-3-1-2-13(6-15)18-8-19(29-23-21(18)22(25)27-12-28-23)14-4-5-20(26-9-14)30-10-17-7-16(30)11-31-17/h1-6,8-9,12,16-17H,7,10-11H2,(H2,25,27,28,29) | 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 | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132285
(3-{5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyr...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)(CC1)C1CCOC1=O Show InChI InChI=1S/C27H25BrN6O3/c28-18-3-1-2-16(12-18)19-13-21(33-25-23(19)24(29)31-15-32-25)17-4-5-22(30-14-17)34-9-7-27(36,8-10-34)20-6-11-37-26(20)35/h1-5,12-15,20,36H,6-11H2,(H2,29,31,32,33) | 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 | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132276
(5-(3-Bromo-phenyl)-7-[6-(1,3-dioxa-8-aza-spiro[4.5...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC2(COCO2)CC1 Show InChI InChI=1S/C25H23BrN6O2/c26-18-3-1-2-16(10-18)19-11-20(31-24-22(19)23(27)29-14-30-24)17-4-5-21(28-12-17)32-8-6-25(7-9-32)13-33-15-34-25/h1-5,10-12,14H,6-9,13,15H2,(H2,27,29,30,31) | 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 | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50102926
(5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...)Show SMILES [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C28H28BrN7O2/c29-20-3-1-2-18(14-20)23-15-24(34-28-26(23)27(30)32-17-33-28)19-4-5-25(31-16-19)36-10-6-21(7-11-36)35-38-22-8-12-37-13-9-22/h1-5,14-17,22H,6-13H2,(H2,30,32,33,34) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132283
(5-(3-Bromo-phenyl)-7-[6-(4-ethoxy-piperidin-1-yl)-...)Show SMILES CCOC1CCN(CC1)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C24H24BrN7O/c1-2-33-17-8-10-32(11-9-17)21-7-6-19(30-31-21)20-13-18(15-4-3-5-16(25)12-15)22-23(26)27-14-28-24(22)29-20/h3-7,12-14,17H,2,8-11H2,1H3,(H2,26,27,28,29) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132284
(5-(3-Bromo-phenyl)-7-{6-[4-(2-methoxy-ethoxy)-pipe...)Show SMILES COCCOC1CCN(CC1)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-34-11-12-35-18-7-9-33(10-8-18)22-6-5-20(31-32-22)21-14-19(16-3-2-4-17(26)13-16)23-24(27)28-15-29-25(23)30-21/h2-6,13-15,18H,7-12H2,1H3,(H2,27,28,29,30) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132282
((1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyr...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC[C@H]1CO Show InChI InChI=1S/C22H20BrN7O/c23-14-4-1-3-13(9-14)16-10-18(27-22-20(16)21(24)25-12-26-22)17-6-7-19(29-28-17)30-8-2-5-15(30)11-31/h1,3-4,6-7,9-10,12,15,31H,2,5,8,11H2,(H2,24,25,26,27)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132280
(5-(3-Bromo-phenyl)-7-{6-[4-(tetrahydro-pyran-4-ylo...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(COC2CCOCC2)CC1 Show InChI InChI=1S/C28H30BrN7O2/c29-20-3-1-2-19(14-20)22-15-24(33-28-26(22)27(30)31-17-32-28)23-4-5-25(35-34-23)36-10-6-18(7-11-36)16-38-21-8-12-37-13-9-21/h1-5,14-15,17-18,21H,6-13,16H2,(H2,30,31,32,33) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132277
(1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(-[#7])ncnc2n1 Show InChI InChI=1S/C23H21BrN8O/c1-33-31-16-7-9-32(10-8-16)20-6-5-18(29-30-20)19-12-17(14-3-2-4-15(24)11-14)21-22(25)26-13-27-23(21)28-19/h2-6,11-13H,7-10H2,1H3,(H2,25,26,27,28) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132272
(5-(3-Bromo-phenyl)-7-[6-(2-oxa-5-aza-bicyclo[2.2.1...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CC2CC1CO2 Show InChI InChI=1S/C23H19BrN6O/c24-15-3-1-2-13(6-15)18-8-19(29-23-21(18)22(25)27-12-28-23)14-4-5-20(26-9-14)30-10-17-7-16(30)11-31-17/h1-6,8-9,12,16-17H,7,10-11H2,(H2,25,27,28,29) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132274
(5-(3-Bromo-phenyl)-7-(6-{4-[2-(tetrahydro-pyran-4-...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(CCOC2CCOCC2)CC1 Show InChI InChI=1S/C29H32BrN7O2/c30-21-3-1-2-20(16-21)23-17-25(34-29-27(23)28(31)32-18-33-29)24-4-5-26(36-35-24)37-11-6-19(7-12-37)8-15-39-22-9-13-38-14-10-22/h1-5,16-19,22H,6-15H2,(H2,31,32,33,34) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132278
(1-(1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]p...)Show SMILES C\C(=N\OC1CCOCC1)C1(O)CCN(CC1)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C30H32BrN7O3/c1-19(37-41-23-7-13-40-14-8-23)30(39)9-11-38(12-10-30)26-6-5-21(17-33-26)25-16-24(20-3-2-4-22(31)15-20)27-28(32)34-18-35-29(27)36-25/h2-6,15-18,23,39H,7-14H2,1H3,(H2,32,34,35,36)/b37-19- | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132279
(5-(3-Bromo-phenyl)-7-[6-(3,4-diethoxy-pyrrolidin-1...)Show SMILES CCO[C@@H]1CN(C[C@@H]1OCC)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-3-34-20-12-33(13-21(20)35-4-2)22-9-8-18(31-32-22)19-11-17(15-6-5-7-16(26)10-15)23-24(27)28-14-29-25(23)30-19/h5-11,14,20-21H,3-4,12-13H2,1-2H3,(H2,27,28,29,30)/t20-,21+ | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132278
(1-(1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]p...)Show SMILES C\C(=N\OC1CCOCC1)C1(O)CCN(CC1)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C30H32BrN7O3/c1-19(37-41-23-7-13-40-14-8-23)30(39)9-11-38(12-10-30)26-6-5-21(17-33-26)25-16-24(20-3-2-4-22(31)15-20)27-28(32)34-18-35-29(27)36-25/h2-6,15-18,23,39H,7-14H2,1H3,(H2,32,34,35,36)/b37-19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132285
(3-{5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyr...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)(CC1)C1CCOC1=O Show InChI InChI=1S/C27H25BrN6O3/c28-18-3-1-2-16(12-18)19-13-21(33-25-23(19)24(29)31-15-32-25)17-4-5-22(30-14-17)34-9-7-27(36,8-10-34)20-6-11-37-26(20)35/h1-5,12-15,20,36H,6-11H2,(H2,29,31,32,33) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132283
(5-(3-Bromo-phenyl)-7-[6-(4-ethoxy-piperidin-1-yl)-...)Show SMILES CCOC1CCN(CC1)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C24H24BrN7O/c1-2-33-17-8-10-32(11-9-17)21-7-6-19(30-31-21)20-13-18(15-4-3-5-16(25)12-15)22-23(26)27-14-28-24(22)29-20/h3-7,12-14,17H,2,8-11H2,1H3,(H2,26,27,28,29) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132275
(1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C27H27BrN8O2/c28-18-3-1-2-17(14-18)21-15-23(32-27-25(21)26(29)30-16-31-27)22-4-5-24(34-33-22)36-10-6-19(7-11-36)35-38-20-8-12-37-13-9-20/h1-5,14-16,20H,6-13H2,(H2,29,30,31,32) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50102926
(5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...)Show SMILES [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C28H28BrN7O2/c29-20-3-1-2-18(14-20)23-15-24(34-28-26(23)27(30)32-17-33-28)19-4-5-25(31-16-19)36-10-6-21(7-11-36)35-38-22-8-12-37-13-9-22/h1-5,14-17,22H,6-13H2,(H2,30,32,33,34) | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132277
(1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(-[#7])ncnc2n1 Show InChI InChI=1S/C23H21BrN8O/c1-33-31-16-7-9-32(10-8-16)20-6-5-18(29-30-20)19-12-17(14-3-2-4-15(24)11-14)21-22(25)26-13-27-23(21)28-19/h2-6,11-13H,7-10H2,1H3,(H2,25,26,27,28) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132284
(5-(3-Bromo-phenyl)-7-{6-[4-(2-methoxy-ethoxy)-pipe...)Show SMILES COCCOC1CCN(CC1)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-34-11-12-35-18-7-9-33(10-8-18)22-6-5-20(31-32-22)21-14-19(16-3-2-4-17(26)13-16)23-24(27)28-15-29-25(23)30-21/h2-6,13-15,18H,7-12H2,1H3,(H2,27,28,29,30) | 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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132274
(5-(3-Bromo-phenyl)-7-(6-{4-[2-(tetrahydro-pyran-4-...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(CCOC2CCOCC2)CC1 Show InChI InChI=1S/C29H32BrN7O2/c30-21-3-1-2-20(16-21)23-17-25(34-29-27(23)28(31)32-18-33-29)24-4-5-26(36-35-24)37-11-6-19(7-12-37)8-15-39-22-9-13-38-14-10-22/h1-5,16-19,22H,6-15H2,(H2,31,32,33,34) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132273
(1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@H](O)[C@H](O)C1 Show InChI InChI=1S/C22H19BrN6O2/c23-14-3-1-2-12(6-14)15-7-16(28-22-20(15)21(24)26-11-27-22)13-4-5-19(25-8-13)29-9-17(30)18(31)10-29/h1-8,11,17-18,30-31H,9-10H2,(H2,24,26,27,28)/t17-,18+ | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132282
((1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyr...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC[C@H]1CO Show InChI InChI=1S/C22H20BrN7O/c23-14-4-1-3-13(9-14)16-10-18(27-22-20(16)21(24)25-12-26-22)17-6-7-19(29-28-17)30-8-2-5-15(30)11-31/h1,3-4,6-7,9-10,12,15,31H,2,5,8,11H2,(H2,24,25,26,27)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132276
(5-(3-Bromo-phenyl)-7-[6-(1,3-dioxa-8-aza-spiro[4.5...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC2(COCO2)CC1 Show InChI InChI=1S/C25H23BrN6O2/c26-18-3-1-2-16(10-18)19-11-20(31-24-22(19)23(27)29-14-30-24)17-4-5-21(28-12-17)32-8-6-25(7-9-32)13-33-15-34-25/h1-5,10-12,14H,6-9,13,15H2,(H2,27,29,30,31) | 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 | 378 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50132281
(1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...)Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@@H](O)[C@H](C1)C#N Show InChI InChI=1S/C23H18BrN7O/c24-16-3-1-2-13(6-16)17-7-18(30-23-21(17)22(26)28-12-29-23)14-4-5-20(27-9-14)31-10-15(8-25)19(32)11-31/h1-7,9,12,15,19,32H,10-11H2,(H2,26,28,29,30)/t15-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 496 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against adenosine kinase was determined in cell assay |
Bioorg Med Chem Lett 13: 3041-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JH3KJ3 |
More data for this
Ligand-Target Pair | |
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