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BDBM228883 US9328099, 2-14

SMILES: CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCCCC2)cc1

InChI Key: InChIKey=SNAWVGQQQYTEPG-UHFFFAOYSA-N

Data: 2 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 = 228883   
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 JAK2


(Homo sapiens (Human))
BDBM228883
PNG
(US9328099, 2-14)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCCCC2)cc1
Show InChI InChI=1S/C19H23N5O3S/c1-28(26,27)15-7-5-14(6-8-15)22-18-16(17(21)25)13-24(23-18)19(11-12-20)9-3-2-4-10-19/h5-8,13H,2-4,9-11H2,1H3,(H2,21,25)(H,22,23)
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 193n/an/an/an/an/a25



Merck Sharp & Dohme Corp

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...


US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM228883
PNG
(US9328099, 2-14)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCCCC2)cc1
Show InChI InChI=1S/C19H23N5O3S/c1-28(26,27)15-7-5-14(6-8-15)22-18-16(17(21)25)13-24(23-18)19(11-12-20)9-3-2-4-10-19/h5-8,13H,2-4,9-11H2,1H3,(H2,21,25)(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/a25



Merck Sharp & Dohme Corp

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...


US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair