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BDBM50473627 CHEMBL308203::RPR-239939

SMILES: CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1

InChI Key: InChIKey=KGUYOFKQHDMARG-OJBMAJLDSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50473627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase p38


(Homo sapiens (Human))
BDBM50473627
PNG
(CHEMBL308203 | RPR-239939)
Show SMILES CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN6O4/c1-4-11-28-24(34)26(2)15-36-23(37-16-26)22-32-20(17-6-8-18(27)9-7-17)21(33-22)19-10-13-30-25(31-19)29-12-5-14-35-3/h6-10,13,23H,4-5,11-12,14-16H2,1-3H3,(H,28,34)(H,32,33)(H,29,30,31)/t23-,26-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Aventis Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1)


J Med Chem 45: 2173-84 (2002)


Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50473627
PNG
(CHEMBL308203 | RPR-239939)
Show SMILES CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN6O4/c1-4-11-28-24(34)26(2)15-36-23(37-16-26)22-32-20(17-6-8-18(27)9-7-17)21(33-22)19-10-13-30-25(31-19)29-12-5-14-35-3/h6-10,13,23H,4-5,11-12,14-16H2,1-3H3,(H,28,34)(H,32,33)(H,29,30,31)/t23-,26-
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Aventis Pharma S.A.

Curated by ChEMBL


Assay Description
Inhibition of murine Mitogen-activated protein kinase p38


J Med Chem 45: 2173-84 (2002)


Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK
More data for this
Ligand-Target Pair