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BDBM148374 US8962637, 99

SMILES: Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)C(=O)N3CCCC3)ncc2C1

InChI Key: InChIKey=ICDKRHFFALYPNE-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 = 148374   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM148374
PNG
(US8962637, 99)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)C(=O)N3CCCC3)ncc2C1
Show InChI InChI=1S/C33H31F3N6O2/c1-21-7-10-27(38-30(43)23-5-4-6-25(17-23)33(34,35)36)18-29(21)42-16-13-28-24(20-42)19-37-32(40-28)39-26-11-8-22(9-12-26)31(44)41-14-2-3-15-41/h4-12,17-19H,2-3,13-16,20H2,1H3,(H,38,43)(H,37,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...


US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM148374
PNG
(US8962637, 99)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(cc3)C(=O)N3CCCC3)ncc2C1
Show InChI InChI=1S/C33H31F3N6O2/c1-21-7-10-27(38-30(43)23-5-4-6-25(17-23)33(34,35)36)18-29(21)42-16-13-28-24(20-42)19-37-32(40-28)39-26-11-8-22(9-12-26)31(44)41-14-2-3-15-41/h4-12,17-19H,2-3,13-16,20H2,1H3,(H,38,43)(H,37,39,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/an/an/an/an/an/a



Debiopharm S.A.; Aurigene Discovery Technologies Ltd.

US Patent


Assay Description
Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...


US Patent US8962637 (2015)


BindingDB Entry DOI: 10.7270/Q2MS3RGN
More data for this
Ligand-Target Pair