BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCCC2=O)ncc1Cl

InChI Key: InChIKey=DXAACKOYNNQYHC-UHFFFAOYSA-N

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 2 hits for monomerid = 50059652   
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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50059652
PNG
(CHEMBL3220502)
Show SMILES NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCCC2=O)ncc1Cl
Show InChI InChI=1S/C21H19ClN6O2/c22-16-12-24-21(27-20(16)26-17-5-2-1-4-15(17)19(23)30)25-13-7-9-14(10-8-13)28-11-3-6-18(28)29/h1-2,4-5,7-10,12H,3,6,11H2,(H2,23,30)(H2,24,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50059652
PNG
(CHEMBL3220502)
Show SMILES NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCCC2=O)ncc1Cl
Show InChI InChI=1S/C21H19ClN6O2/c22-16-12-24-21(27-20(16)26-17-5-2-1-4-15(17)19(23)30)25-13-7-9-14(10-8-13)28-11-3-6-18(28)29/h1-2,4-5,7-10,12H,3,6,11H2,(H2,23,30)(H2,24,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair