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BDBM32338 4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate::4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide;hydrate::4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate::4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate::MLS000517268::SANGIVAMYCIN::SMR000127424::cid_9549170

SMILES: NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12

InChI Key: InChIKey=OBZJZDHRXBKKTJ-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

PDB links: 9 PDB IDs match this monomer.

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 = 32338   
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
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
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)
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KEGG

UniProtKB/SwissProt

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PC sid
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PCBioAssay
n/an/a 1.66E+3n/an/an/an/a7.223



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FJ2F43
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
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)
PDB
MMDB

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PCBioAssay
n/an/a 1.21E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
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)
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PCBioAssay
n/an/a 1.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
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)
PDB

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antibodypedia
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PCBioAssay
n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM32338
PNG
(4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
More data for this
Ligand-Target Pair