new BindingDB logo
myBDB logout

BDBM50220753 5-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2-carbonitrile::5-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2-carbonitrile::CHEMBL398750::Chk1_145

SMILES: COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)C#N

InChI Key: InChIKey=KIRCZKKYIGQKGG-UHFFFAOYSA-N

Data: 3 IC50

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 = 50220753   
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 Chk1


(Homo sapiens (Human))
BDBM50220753
PNG
(5-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)C#N
Show InChI InChI=1S/C18H14N4O2/c1-23-15-6-11-5-14-17(10-3-4-12(8-19)20-9-10)21-22-18(14)13(11)7-16(15)24-2/h3-4,6-7,9H,5H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.810n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)


Article DOI: 10.1007/s10822-016-9974-4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220753
PNG
(5-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)C#N
Show InChI InChI=1S/C18H14N4O2/c1-23-15-6-11-5-14-17(10-3-4-12(8-19)20-9-10)21-22-18(14)13(11)7-16(15)24-2/h3-4,6-7,9H,5H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 5944-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.102
BindingDB Entry DOI: 10.7270/Q2B56KKC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50220753
PNG
(5-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)C#N
Show InChI InChI=1S/C18H14N4O2/c1-23-15-6-11-5-14-17(10-3-4-12(8-19)20-9-10)21-22-18(14)13(11)7-16(15)24-2/h3-4,6-7,9H,5H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.810n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CHK1


Bioorg Med Chem Lett 17: 5665-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.069
BindingDB Entry DOI: 10.7270/Q2ZG6S0X
More data for this
Ligand-Target Pair