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BDBM229355 US9328099, 38-15

SMILES: NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1ccc(cc1)C#N

InChI Key: InChIKey=MPZBHQQYZYVVJY-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 = 229355   
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))
BDBM229355
PNG
(US9328099, 38-15)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H20N8O2/c24-11-10-23(14-30(15-23)22(33)28-18-8-6-16(12-25)7-9-18)31-13-19(20(26)32)21(29-31)27-17-4-2-1-3-5-17/h1-9,13H,10,14-15H2,(H2,26,32)(H,27,29)(H,28,33)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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))
BDBM229355
PNG
(US9328099, 38-15)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1(CC#N)CN(C1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C23H20N8O2/c24-11-10-23(14-30(15-23)22(33)28-18-8-6-16(12-25)7-9-18)31-13-19(20(26)32)21(29-31)27-17-4-2-1-3-5-17/h1-9,13H,10,14-15H2,(H2,26,32)(H,27,29)(H,28,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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