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BDBM50279293 CHEMBL4162913

SMILES: COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C

InChI Key: InChIKey=OEFUMBDQRIIGBZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50279293   
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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50279293
PNG
(CHEMBL4162913)
Show SMILES COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H23N3O4S/c1-13-8-6-7-9-14(13)22-19(24)15-11-21-18-10-16(27-5)17(12-23(15)18)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)
PDB
MMDB

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antibodypedia
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PC sid
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Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


ACS Med Chem Lett 8: 1048-1053 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00258
BindingDB Entry DOI: 10.7270/Q2ST7SBP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50279293
PNG
(CHEMBL4162913)
Show SMILES COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H23N3O4S/c1-13-8-6-7-9-14(13)22-19(24)15-11-21-18-10-16(27-5)17(12-23(15)18)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...


ACS Med Chem Lett 8: 1048-1053 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00258
BindingDB Entry DOI: 10.7270/Q2ST7SBP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50279293
PNG
(CHEMBL4162913)
Show SMILES COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H23N3O4S/c1-13-8-6-7-9-14(13)22-19(24)15-11-21-18-10-16(27-5)17(12-23(15)18)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin)


ACS Med Chem Lett 8: 1048-1053 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00258
BindingDB Entry DOI: 10.7270/Q2ST7SBP
More data for this
Ligand-Target Pair