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BDBM50156125 CHEMBL3781587

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccnc(N)c2)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=DSBZQMQVJJPSIP-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 = 50156125   
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
p38 delta/gamma


(Homo sapiens (Human))
BDBM50156125
PNG
(CHEMBL3781587)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccnc(N)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H34N6O2/c1-21-9-11-23(12-10-21)38-30(20-28(37-38)32(2,3)4)36-31(39)35-26-13-14-27(25-8-6-5-7-24(25)26)40-18-16-22-15-17-34-29(33)19-22/h5-15,17,19-20H,16,18H2,1-4H3,(H2,33,34)(H2,35,36,39)
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 gamma assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50156125
PNG
(CHEMBL3781587)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccnc(N)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H34N6O2/c1-21-9-11-23(12-10-21)38-30(20-28(37-38)32(2,3)4)36-31(39)35-26-13-14-27(25-8-6-5-7-24(25)26)40-18-16-22-15-17-34-29(33)19-22/h5-15,17,19-20H,16,18H2,1-4H3,(H2,33,34)(H2,35,36,39)
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NCI pathway
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 60n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50156125
PNG
(CHEMBL3781587)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccnc(N)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H34N6O2/c1-21-9-11-23(12-10-21)38-30(20-28(37-38)32(2,3)4)36-31(39)35-26-13-14-27(25-8-6-5-7-24(25)26)40-18-16-22-15-17-34-29(33)19-22/h5-15,17,19-20H,16,18H2,1-4H3,(H2,33,34)(H2,35,36,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 829n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET peptide addition measured after 1 hr by Z-LYTE assay


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair