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SMILES: COc1cc(OC)c(Cl)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cn2)c2nccnc12

InChI Key: InChIKey=QACRCCSWMAUPPQ-UHFFFAOYSA-N

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 = 102541   
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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM102541
PNG
(US8536175, 152)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cn2)c2nccnc12 |(8.08,4,;8.85,2.67,;8.08,1.33,;8.85,,;8.08,-1.33,;8.85,-2.67,;10.39,-2.67,;6.54,-1.33,;5.77,-2.67,;5.77,,;6.54,1.33,;5.77,2.67,;4.23,,;3.46,1.33,;1.92,1.33,;1.15,,;-.39,,;-1.15,1.33,;-1.15,-1.33,;-2.69,-1.33,;-3.46,,;-5,,;-5.77,-1.33,;-7.31,-1.33,;-8.08,,;-9.62,,;-10.39,1.33,;-9.62,2.67,;-10.39,4,;-8.85,4,;-8.08,2.67,;-7.31,1.33,;-5,-2.67,;-3.46,-2.67,;1.92,-1.33,;1.15,-2.67,;1.92,-4,;3.46,-4,;4.23,-2.67,;3.46,-1.33,)|
Show InChI InChI=1S/C27H25ClFN5O5S/c1-38-19-13-20(39-2)24(29)22(23(19)28)17-4-5-18(26-25(17)30-7-8-31-26)27(35)33-21-6-3-16(14-32-21)15-34-9-11-40(36,37)12-10-34/h3-8,13-14H,9-12,15H2,1-2H3,(H,32,33,35)
PDB
MMDB

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Similars

US Patent
n/an/a 32n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
The assay has been run at room temperature on a liquid handling robot. To the assay plates containing 50 mL compound or control solutions, 4.5 uL of ...


US Patent US8815901 (2014)


BindingDB Entry DOI: 10.7270/Q2XG9PT8
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM102541
PNG
(US8536175, 152)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cn2)c2nccnc12 |(8.08,4,;8.85,2.67,;8.08,1.33,;8.85,,;8.08,-1.33,;8.85,-2.67,;10.39,-2.67,;6.54,-1.33,;5.77,-2.67,;5.77,,;6.54,1.33,;5.77,2.67,;4.23,,;3.46,1.33,;1.92,1.33,;1.15,,;-.39,,;-1.15,1.33,;-1.15,-1.33,;-2.69,-1.33,;-3.46,,;-5,,;-5.77,-1.33,;-7.31,-1.33,;-8.08,,;-9.62,,;-10.39,1.33,;-9.62,2.67,;-10.39,4,;-8.85,4,;-8.08,2.67,;-7.31,1.33,;-5,-2.67,;-3.46,-2.67,;1.92,-1.33,;1.15,-2.67,;1.92,-4,;3.46,-4,;4.23,-2.67,;3.46,-1.33,)|
Show InChI InChI=1S/C27H25ClFN5O5S/c1-38-19-13-20(39-2)24(29)22(23(19)28)17-4-5-18(26-25(17)30-7-8-31-26)27(35)33-21-6-3-16(14-32-21)15-34-9-11-40(36,37)12-10-34/h3-8,13-14H,9-12,15H2,1-2H3,(H,32,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 32n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Protein kinase activity measured by the microfluidic caliper method.


US Patent US8536175 (2013)


BindingDB Entry DOI: 10.7270/Q27D2SSH
More data for this
Ligand-Target Pair