BindingDB logo
myBDB logout

BDBM50314784 4-Chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide::CHEMBL1091928

SMILES: Cn1c2n(ncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F

InChI Key: InChIKey=SBVVPLRDGQGTMO-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50314784   
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))
BDBM50314784
PNG
(4-Chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7...)
Show SMILES Cn1c2n(ncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F |(2.55,2.36,;2.53,.82,;3.86,.04,;5.31,.52,;6.22,-.75,;5.31,-1.98,;3.85,-1.5,;2.51,-2.26,;1.18,-1.48,;-.16,-2.23,;-1.49,-1.45,;-2.83,-2.21,;-2.84,-3.75,;-1.51,-4.53,;-.17,-3.77,;1.16,-4.56,;-4.15,-1.43,;-4.14,.11,;-5.49,-2.19,;-6.82,-1.41,;-8.36,-1.4,;-7.58,-.07,;1.19,.06,;-.13,.85,;6.09,1.85,;7.58,1.92,;8.35,.56,;8.36,3.24,;7.53,4.54,;5.99,4.56,;5.32,3.21,;3.73,3.4,)|
Show InChI InChI=1S/C23H17ClF2N4O2/c1-29-22-13(11-27-30(22)20-18(25)3-2-4-19(20)26)10-16(23(29)32)15-9-12(5-8-17(15)24)21(31)28-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50314784
PNG
(4-Chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7...)
Show SMILES Cn1c2n(ncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1c(F)cccc1F |(2.55,2.36,;2.53,.82,;3.86,.04,;5.31,.52,;6.22,-.75,;5.31,-1.98,;3.85,-1.5,;2.51,-2.26,;1.18,-1.48,;-.16,-2.23,;-1.49,-1.45,;-2.83,-2.21,;-2.84,-3.75,;-1.51,-4.53,;-.17,-3.77,;1.16,-4.56,;-4.15,-1.43,;-4.14,.11,;-5.49,-2.19,;-6.82,-1.41,;-8.36,-1.4,;-7.58,-.07,;1.19,.06,;-.13,.85,;6.09,1.85,;7.58,1.92,;8.35,.56,;8.36,3.24,;7.53,4.54,;5.99,4.56,;5.32,3.21,;3.73,3.4,)|
Show InChI InChI=1S/C23H17ClF2N4O2/c1-29-22-13(11-27-30(22)20-18(25)3-2-4-19(20)26)10-16(23(29)32)15-9-12(5-8-17(15)24)21(31)28-14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,28,31)
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 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced MK2 phosphorylation in human whole blood treated 30 mins before LPS challenge measured after 45 mins by FACS analysis


J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair