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BDBM229145 US9328099, 22-56

SMILES: NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccc3cc[nH]c3c2)CC1

InChI Key: InChIKey=HQVYAMDRXNVUNB-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 = 229145   
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 JAK1


(Homo sapiens (Human))
BDBM229145
PNG
(US9328099, 22-56)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C26H26FN7O/c27-20-3-5-21(6-4-20)31-25-22(24(29)35)17-34(32-25)26(8-11-28)9-13-33(14-10-26)16-18-1-2-19-7-12-30-23(19)15-18/h1-7,12,15,17,30H,8-10,13-14,16H2,(H2,29,35)(H,31,32)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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 JAK2


(Homo sapiens (Human))
BDBM229145
PNG
(US9328099, 22-56)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C26H26FN7O/c27-20-3-5-21(6-4-20)31-25-22(24(29)35)17-34(32-25)26(8-11-28)9-13-33(14-10-26)16-18-1-2-19-7-12-30-23(19)15-18/h1-7,12,15,17,30H,8-10,13-14,16H2,(H2,29,35)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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