BindingDB logo
myBDB logout

BDBM139698 US8895544, 10

SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=XTSYILHHSBYBSJ-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 = 139698   
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))
BDBM139698
PNG
(US8895544, 10)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25F2N5O2/c1-2-16-14-26(37)22(31)15-21(16)18-5-8-20-25(13-18)34-35-27(20)28-32-23-9-11-36(12-10-24(23)33-28)29(38)17-3-6-19(30)7-4-17/h3-8,13-15,37H,2,9-12H2,1H3,(H,32,33)(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.5n/an/an/an/a7.525



Pfizer Inc

US Patent


Assay Description
JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...


US Patent US8895544 (2014)


BindingDB Entry DOI: 10.7270/Q2S46QNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM139698
PNG
(US8895544, 10)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25F2N5O2/c1-2-16-14-26(37)22(31)15-21(16)18-5-8-20-25(13-18)34-35-27(20)28-32-23-9-11-36(12-10-24(23)33-28)29(38)17-3-6-19(30)7-4-17/h3-8,13-15,37H,2,9-12H2,1H3,(H,32,33)(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/a7.525



Pfizer Inc

US Patent


Assay Description
JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free...


US Patent US8895544 (2014)


BindingDB Entry DOI: 10.7270/Q2S46QNM
More data for this
Ligand-Target Pair