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BDBM50059214 CHEMBL3393308

SMILES: Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1

InChI Key: InChIKey=BOWCRFQTJJGHST-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50059214   
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 kinase kinase 12


(Homo sapiens)
BDBM50059214
PNG
(CHEMBL3393308)
Show SMILES Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1
Show InChI InChI=1S/C21H23N5OS/c1-14-12-22-21(28-14)25-19-11-18(23-15(2)24-19)17-9-6-10-26(13-17)20(27)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens)
BDBM50059214
PNG
(CHEMBL3393308)
Show SMILES Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1
Show InChI InChI=1S/C21H23N5OS/c1-14-12-22-21(28-14)25-19-11-18(23-15(2)24-19)17-9-6-10-26(13-17)20(27)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 641n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair