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SMILES: CC(=O)NC1(CCCC1)C(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C

InChI Key: InChIKey=DDEZUQPFAQQFFP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50323422   
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 14


(Homo sapiens (Human))
BDBM50323422
PNG
(1-acetamido-N-(3-(3-tert-butyl-5-(3-phenylureido)-...)
Show SMILES CC(=O)NC1(CCCC1)C(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H36N6O3/c1-20(36)33-29(15-8-9-16-29)26(37)30-19-21-11-10-14-23(17-21)35-25(18-24(34-35)28(2,3)4)32-27(38)31-22-12-6-5-7-13-22/h5-7,10-14,17-18H,8-9,15-16,19H2,1-4H3,(H,30,37)(H,33,36)(H2,31,32,38)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.55E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323422
PNG
(1-acetamido-N-(3-(3-tert-butyl-5-(3-phenylureido)-...)
Show SMILES CC(=O)NC1(CCCC1)C(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C29H36N6O3/c1-20(36)33-29(15-8-9-16-29)26(37)30-19-21-11-10-14-23(17-21)35-25(18-24(34-35)28(2,3)4)32-27(38)31-22-12-6-5-7-13-22/h5-7,10-14,17-18H,8-9,15-16,19H2,1-4H3,(H,30,37)(H,33,36)(H2,31,32,38)
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 715n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair