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PDB code 4F9B

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cell division cycle 7-related protein kinase

  (192/194 = 99%)
(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdc7


J Med Chem 53: 7296-315 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)

  (192/194 = 99%)
(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 10n/an/an/an/an/an/a



Nerviano Medical Sciences Oncology

Curated by ChEMBL


Assay Description
Inhibition of cdc7


Nat Chem Biol 4: 357-65 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cdc7 Kinase

  (141/141 = 100%)
(Homo sapiens (human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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Article
PubMed
n/an/a 10n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cdc7 Kinase

  (141/141 = 100%)
(Homo sapiens (human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 10n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 51: 487-501 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output