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BDBM245754 US9428511, 46

SMILES: CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cn(CC(C)(C)O)nc1C)C(N)=O)C(=O)C1(CC1)C#N

InChI Key: InChIKey=PFIYXLYRYZHOJS-QFBILLFUSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 245754   
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))
BDBM245754
PNG
(US9428511, 46)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cn(CC(C)(C)O)nc1C)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C26H33N9O3/c1-5-16-9-33(24(37)26(13-27)6-7-26)11-19(16)30-21-17(22(28)36)8-29-35-12-20(31-23(21)35)18-10-34(32-15(18)2)14-25(3,4)38/h8,10,12,16,19,30,38H,5-7,9,11,14H2,1-4H3,(H2,28,36)/t16-,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90n/an/an/an/a7.425



Bristol-Myers Squibb Co.

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...


US Patent US9428511 (2016)


BindingDB Entry DOI: 10.7270/Q27080B9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM245754
PNG
(US9428511, 46)
Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cn(CC(C)(C)O)nc1C)C(N)=O)C(=O)C1(CC1)C#N
Show InChI InChI=1S/C26H33N9O3/c1-5-16-9-33(24(37)26(13-27)6-7-26)11-19(16)30-21-17(22(28)36)8-29-35-12-20(31-23(21)35)18-10-34(32-15(18)2)14-25(3,4)38/h8,10,12,16,19,30,38H,5-7,9,11,14H2,1-4H3,(H2,28,36)/t16-,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/a7.425



Bristol-Myers Squibb Co.

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...


US Patent US9428511 (2016)


BindingDB Entry DOI: 10.7270/Q27080B9
More data for this
Ligand-Target Pair