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BDBM285696 4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-4-yl)-1H- pyrrol-1- yl]propyl}piperazin-1- yl)carbonyl]-3- fluorobenzonitrile::US10077277, Example 6::US9732097, Example 5

SMILES: Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N

InChI Key: InChIKey=VQDFOOLMNPPTBD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285696   
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))
BDBM285696
PNG
(4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N
Show InChI InChI=1S/C25H22FN9O/c26-22-11-17(12-28)1-2-20(22)25(36)34-9-7-33(8-10-34)15-19(3-5-27)35-14-18(13-32-35)23-21-4-6-29-24(21)31-16-30-23/h1-2,4,6,11,13-14,16,19H,3,7-10,15H2,(H,29,30,31)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM285696
PNG
(4-[(4-{3-cyano-2-[3- (7H-pyrrolo[2,3- d]pyrimidin-...)
Show SMILES Fc1cc(ccc1C(=O)N1CCN(CC(CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)CC1)C#N
Show InChI InChI=1S/C25H22FN9O/c26-22-11-17(12-28)1-2-20(22)25(36)34-9-7-33(8-10-34)15-19(3-5-27)35-14-18(13-32-35)23-21-4-6-29-24(21)31-16-30-23/h1-2,4,6,11,13-14,16,19H,3,7-10,15H2,(H,29,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the additional pharmaceutical agent is a JAK1 and/or JAK2 inhibitor. In some embodiments, the present application provides a met...


US Patent US10077277 (2018)

More data for this
Ligand-Target Pair