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BDBM50355554 CHEMBL1910616

SMILES: NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl

InChI Key: InChIKey=YYPZEEYWQBKWHA-CGOBSMCZSA-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 = 50355554   
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))
BDBM50355554
PNG
(CHEMBL1910616)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H10Cl2N6S2/c16-11-5-7(13(17)25-11)12-9(6-20-22-14(18)19)23-8-3-1-2-4-10(8)24-15(23)21-12/h1-6H,(H4,18,19,22)/b20-6+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50355554
PNG
(CHEMBL1910616)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H10Cl2N6S2/c16-11-5-7(13(17)25-11)12-9(6-20-22-14(18)19)23-8-3-1-2-4-10(8)24-15(23)21-12/h1-6H,(H4,18,19,22)/b20-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50355554
PNG
(CHEMBL1910616)
Show SMILES NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C15H10Cl2N6S2/c16-11-5-7(13(17)25-11)12-9(6-20-22-14(18)19)23-8-3-1-2-4-10(8)24-15(23)21-12/h1-6H,(H4,18,19,22)/b20-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay


Eur J Med Chem 46: 4311-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.001
BindingDB Entry DOI: 10.7270/Q2NG4R1D
More data for this
Ligand-Target Pair