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BDBM50467985 CHEMBL4283104

SMILES: Cc1cc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)n[nH]1

InChI Key: InChIKey=FGBDTXBLHHLHBQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50467985   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50467985
PNG
(CHEMBL4283104)
Show SMILES Cc1cc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)n[nH]1
Show InChI InChI=1S/C17H20N4O2S/c1-11-9-16(21-20-11)19-15-7-8-18-14-6-5-12(10-13(14)15)24(22,23)17(2,3)4/h5-10H,1-4H3,(H2,18,19,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.37E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by Qpatch clamp assay


ACS Med Chem Lett 9: 1039-1044 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50467985
PNG
(CHEMBL4283104)
Show SMILES Cc1cc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)n[nH]1
Show InChI InChI=1S/C17H20N4O2S/c1-11-9-16(21-20-11)19-15-7-8-18-14-6-5-12(10-13(14)15)24(22,23)17(2,3)4/h5-10H,1-4H3,(H2,18,19,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 742n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu...


ACS Med Chem Lett 9: 1039-1044 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50467985
PNG
(CHEMBL4283104)
Show SMILES Cc1cc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)n[nH]1
Show InChI InChI=1S/C17H20N4O2S/c1-11-9-16(21-20-11)19-15-7-8-18-14-6-5-12(10-13(14)15)24(22,23)17(2,3)4/h5-10H,1-4H3,(H2,18,19,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc...


ACS Med Chem Lett 9: 1039-1044 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV
More data for this
Ligand-Target Pair