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BDBM229138 US9328099, 22-49

SMILES: NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cncc(F)c2)CC1

InChI Key: InChIKey=WEIVJFCKDKLMOF-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 = 229138   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM229138
PNG
(US9328099, 22-49)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cncc(F)c2)CC1
Show InChI InChI=1S/C23H23F2N7O/c24-17-1-3-19(4-2-17)29-22-20(21(27)33)15-32(30-22)23(5-8-26)6-9-31(10-7-23)14-16-11-18(25)13-28-12-16/h1-4,11-13,15H,5-7,9-10,14H2,(H2,27,33)(H,29,30)
PDB

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KEGG

UniProtKB/SwissProt

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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))
BDBM229138
PNG
(US9328099, 22-49)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(Cc2cncc(F)c2)CC1
Show InChI InChI=1S/C23H23F2N7O/c24-17-1-3-19(4-2-17)29-22-20(21(27)33)15-32(30-22)23(5-8-26)6-9-31(10-7-23)14-16-11-18(25)13-28-12-16/h1-4,11-13,15H,5-7,9-10,14H2,(H2,27,33)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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