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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Homeodomain-interacting protein kinase 3' and Ligand = 'BDBM50335638'   
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
Homeodomain-interacting protein kinase 3


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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PDB
Article
PubMed
n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HIPK3 in presence of ATP at Km concentration by radiometric filter-binding assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112770
BindingDB Entry DOI: 10.7270/Q2DN48PP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Homeodomain-interacting protein kinase 3


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HIPK3 by radiometric assay


J Med Chem 54: 635-54 (2011)


Article DOI: 10.1021/jm101251q
BindingDB Entry DOI: 10.7270/Q2J67H7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)