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SMILES: Clc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccccc3Br)ccc12

InChI Key: InChIKey=DZNGNORQVUAHBQ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50135322   
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 11


(Homo sapiens (Human))
BDBM50135322
PNG
(6-(2-Bromo-phenylsulfanyl)-1-(2,6-dichloro-phenyl)...)
Show SMILES Clc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccccc3Br)ccc12
Show InChI InChI=1S/C19H12BrCl2N3OS/c20-11-4-1-2-7-16(11)27-17-9-8-15-14(24-17)10-23-19(26)25(15)18-12(21)5-3-6-13(18)22/h1-9H,10H2,(H,23,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 13: 3979-82 (2003)


BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50135322
PNG
(6-(2-Bromo-phenylsulfanyl)-1-(2,6-dichloro-phenyl)...)
Show SMILES Clc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccccc3Br)ccc12
Show InChI InChI=1S/C19H12BrCl2N3OS/c20-11-4-1-2-7-16(11)27-17-9-8-15-14(24-17)10-23-19(26)25(15)18-12(21)5-3-6-13(18)22/h1-9H,10H2,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 3979-82 (2003)


BindingDB Entry DOI: 10.7270/Q2RJ4HWB
More data for this
Ligand-Target Pair