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BDBM228943 US9328099, 3-51

SMILES: NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccnc1F

InChI Key: InChIKey=MSMFJIFJSMKENF-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 = 228943   
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))
BDBM228943
PNG
(US9328099, 3-51)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccnc1F
Show InChI InChI=1S/C22H21F2N7O/c23-15-3-5-16(6-4-15)28-21-17(20(26)32)14-31(29-21)22(7-10-25)8-12-30(13-9-22)18-2-1-11-27-19(18)24/h1-6,11,14H,7-9,12-13H2,(H2,26,32)(H,28,29)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0600n/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))
BDBM228943
PNG
(US9328099, 3-51)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)C1(CC#N)CCN(CC1)c1cccnc1F
Show InChI InChI=1S/C22H21F2N7O/c23-15-3-5-16(6-4-15)28-21-17(20(26)32)14-31(29-21)22(7-10-25)8-12-30(13-9-22)18-2-1-11-27-19(18)24/h1-6,11,14H,7-9,12-13H2,(H2,26,32)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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