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BDBM50352568 CHEMBL1825151

SMILES: Cc1ccc(cc1-c1ccc2c(NC(=O)[C@@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1

InChI Key: InChIKey=LZMWFPIUZDOPGD-OWWJJEGGSA-N

Data: 2 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 = 50352568   
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))
BDBM50352568
PNG
(CHEMBL1825151)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wD:15.15,18.20,(-4.28,-16.05,;-2.94,-16.81,;-1.62,-16.03,;-.27,-16.8,;-.27,-18.34,;-1.6,-19.11,;-2.94,-18.35,;-4.26,-19.12,;-4.26,-20.67,;-5.59,-21.44,;-6.93,-20.67,;-6.92,-19.13,;-8.39,-18.65,;-9.29,-19.9,;-10.83,-19.89,;-8.39,-21.14,;-7.3,-22.23,;-7.71,-23.72,;-9.2,-24.12,;-9.6,-25.6,;-10.29,-23.02,;-9.89,-21.54,;-5.6,-18.35,;1.07,-19.11,;1.07,-20.65,;2.4,-18.33,;3.73,-19.1,;4.51,-20.43,;5.28,-19.09,)|
Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,24+
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA


Bioorg Med Chem Lett 21: 5270-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.033
BindingDB Entry DOI: 10.7270/Q2KD1Z8K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50352568
PNG
(CHEMBL1825151)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wD:15.15,18.20,(-4.28,-16.05,;-2.94,-16.81,;-1.62,-16.03,;-.27,-16.8,;-.27,-18.34,;-1.6,-19.11,;-2.94,-18.35,;-4.26,-19.12,;-4.26,-20.67,;-5.59,-21.44,;-6.93,-20.67,;-6.92,-19.13,;-8.39,-18.65,;-9.29,-19.9,;-10.83,-19.89,;-8.39,-21.14,;-7.3,-22.23,;-7.71,-23.72,;-9.2,-24.12,;-9.6,-25.6,;-10.29,-23.02,;-9.89,-21.54,;-5.6,-18.35,;1.07,-19.11,;1.07,-20.65,;2.4,-18.33,;3.73,-19.1,;4.51,-20.43,;5.28,-19.09,)|
Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,24+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay


Bioorg Med Chem Lett 21: 5270-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.033
BindingDB Entry DOI: 10.7270/Q2KD1Z8K
More data for this
Ligand-Target Pair