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BDBM50042349 2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(Iodotubercidin)::CHEMBL99203

SMILES: Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)C(O)C1O

InChI Key: InChIKey=WHSIXKUPQCKWBY-VTFQDDHLSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50042349   
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)
BDBM50042349
PNG
(2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)C(O)C1O
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
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase


J Med Chem 43: 2883-93 (2000)


Article DOI: 10.1021/jm000024g
BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50042349
PNG
(2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)C(O)C1O
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
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n/an/a 3.85E+10n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human adenosine kinase activity


Bioorg Med Chem Lett 12: 899-902 (2002)


Article DOI: 10.1016/s0960-894x(02)00042-2
BindingDB Entry DOI: 10.7270/Q2NP23QT
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50042349
PNG
(2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)C(O)C1O
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
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n/an/a 26n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand


J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50042349
PNG
(2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)C(O)C1O
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
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n/an/a 26n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant adenosine kinase


J Med Chem 46: 4750-60 (2003)


Article DOI: 10.1021/jm030230z
BindingDB Entry DOI: 10.7270/Q2FB52B9
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50042349
PNG
(2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)C(O)C1O
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
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CHEMBL
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human adenosine kinase activity


Bioorg Med Chem Lett 12: 899-902 (2002)


Article DOI: 10.1016/s0960-894x(02)00042-2
BindingDB Entry DOI: 10.7270/Q2NP23QT
More data for this
Ligand-Target Pair