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BDBM99825 US8501936, 341

SMILES: COc1cc(ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)F

InChI Key: InChIKey=VTZQFUIZPLDNRA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 99825   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM99825
PNG
(US8501936, 341)
Show SMILES COc1cc(ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)F
Show InChI InChI=1S/C29H32F2N6O2/c1-35(2)26(38)18-36-15-12-20(13-16-36)19-6-9-22(10-7-19)32-29-33-28-24(5-4-14-37(28)34-29)23-11-8-21(27(30)31)17-25(23)39-3/h4-11,14,17,20,27H,12-13,15-16,18H2,1-3H3,(H,32,34)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99825
PNG
(US8501936, 341)
Show SMILES COc1cc(ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)F
Show InChI InChI=1S/C29H32F2N6O2/c1-35(2)26(38)18-36-15-12-20(13-16-36)19-6-9-22(10-7-19)32-29-33-28-24(5-4-14-37(28)34-29)23-11-8-21(27(30)31)17-25(23)39-3/h4-11,14,17,20,27H,12-13,15-16,18H2,1-3H3,(H,32,34)
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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 91.1n/an/an/an/an/an/a



Cephalon, Inc.

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99825
PNG
(US8501936, 341)
Show SMILES COc1cc(ccc1-c1cccn2nc(Nc3ccc(cc3)C3CCN(CC(=O)N(C)C)CC3)nc12)C(F)F
Show InChI InChI=1S/C29H32F2N6O2/c1-35(2)26(38)18-36-15-12-20(13-16-36)19-6-9-22(10-7-19)32-29-33-28-24(5-4-14-37(28)34-29)23-11-8-21(27(30)31)17-25(23)39-3/h4-11,14,17,20,27H,12-13,15-16,18H2,1-3H3,(H,32,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 33.7n/an/an/an/an/an/a



Cephalon, Inc.

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair