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BDBM316767 2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1S,3S)-3-(cyanomethyl)cyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide::US9617258, Example 262

SMILES: C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)N[C@H]3CCC[C@H](CC#N)C3)c2n1

InChI Key: InChIKey=UOTUVBCONQCDIK-WBVHZDCISA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 316767   
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 JAK3


(Homo sapiens (Human))
BDBM316767
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1S,3S)-3-(...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)N[C@H]3CCC[C@H](CC#N)C3)c2n1
Show InChI InChI=1S/C23H29N7O2/c1-2-20(31)30-10-7-16(8-11-30)27-19-14-26-22-21(29-19)18(13-25-22)23(32)28-17-5-3-4-15(12-17)6-9-24/h2,13-17H,1,3-8,10-12H2,(H,25,26)(H,27,29)(H,28,32)/t15-,17+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316767
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1S,3S)-3-(...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)N[C@H]3CCC[C@H](CC#N)C3)c2n1
Show InChI InChI=1S/C23H29N7O2/c1-2-20(31)30-10-7-16(8-11-30)27-19-14-26-22-21(29-19)18(13-25-22)23(32)28-17-5-3-4-15(12-17)6-9-24/h2,13-17H,1,3-8,10-12H2,(H,25,26)(H,27,29)(H,28,32)/t15-,17+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

More data for this
Ligand-Target Pair