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BDBM50473623 CHEMBL309802::RPR-238778

SMILES: CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccn2)n1)-c1ccc(F)cc1

InChI Key: InChIKey=AAIWZQZMQJIDII-HNKWHGCMSA-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 = 50473623   
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))
BDBM50473623
PNG
(CHEMBL309802 | RPR-238778)
Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccn2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H28FN7O3/c1-27(25(36)35(2)3)15-37-24(38-16-27)23-33-21(17-7-9-18(28)10-8-17)22(34-23)20-11-13-30-26(32-20)31-14-19-6-4-5-12-29-19/h4-13,24H,14-16H2,1-3H3,(H,33,34)(H,30,31,32)/t24-,27-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/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 THP-1 cell lines


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)
BDBM50473623
PNG
(CHEMBL309802 | RPR-238778)
Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccn2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H28FN7O3/c1-27(25(36)35(2)3)15-37-24(38-16-27)23-33-21(17-7-9-18(28)10-8-17)22(34-23)20-11-13-30-26(32-20)31-14-19-6-4-5-12-29-19/h4-13,24H,14-16H2,1-3H3,(H,33,34)(H,30,31,32)/t24-,27-
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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