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BDBM50309178 4-(2-Amino-5-(benzo[d][1,3]dioxol-4-yl)pyridin-3-yl)benzamide::4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE::CHEMBL590335

SMILES: NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc2OCOc12

InChI Key: InChIKey=UBOGEBHIZSQBBD-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50309178   
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 Chk2


(Homo sapiens (Human))
BDBM50309178
PNG
(4-(2-Amino-5-(benzo[d][1,3]dioxol-4-yl)pyridin-3-y...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc2OCOc12
Show InChI InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


Bioorg Med Chem 18: 707-18 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309178
PNG
(4-(2-Amino-5-(benzo[d][1,3]dioxol-4-yl)pyridin-3-y...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc2OCOc12
Show InChI InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 in human HT29 cells assessed as blockade of etoposide-induced DNA damage-activated enzyme phosphorylation by Western bloting


Bioorg Med Chem 18: 707-18 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50309178
PNG
(4-(2-Amino-5-(benzo[d][1,3]dioxol-4-yl)pyridin-3-y...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc2OCOc12
Show InChI InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


Bioorg Med Chem 18: 707-18 (2010)

More data for this
Ligand-Target Pair