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BDBM50102927 5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ol::CHEMBL62974

SMILES: Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1

InChI Key: InChIKey=FDEVESJTXOFBMY-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50102927   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine kinase


(Homo sapiens (Human))
BDBM50102927
PNG
(5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1
Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50102927
PNG
(5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1
Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair