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PDB code 2C3L

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1

  (290/293 = 99%)
(Homo sapiens (Human))
BDBM16590
PNG
(2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
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PubMed
n/an/a 6.30E+3n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...


Bioorg Med Chem 14: 1792-804 (2006)


Article DOI: 10.1016/j.bmc.2005.10.022
BindingDB Entry DOI: 10.7270/Q2154F9K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1

  (290/293 = 99%)
(Homo sapiens (Human))
BDBM16590
PNG
(2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
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PC sid
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MMDB
PDB
Article
PubMed
8.58E+3 -29.4n/an/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...


Bioorg Med Chem 14: 1792-804 (2006)


Article DOI: 10.1016/j.bmc.2005.10.022
BindingDB Entry DOI: 10.7270/Q2154F9K
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