BindingDB logo
myBDB logout

null

SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)cn2)c2nccnc12

InChI Key: InChIKey=FQUCQZSJALKUTA-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 = 102531   
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))
BDBM102531
PNG
(US8536175, 106)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)cn2)c2nccnc12 |(11.55,2.62,;10.01,2.62,;9.24,1.28,;10.01,-.05,;9.24,-1.38,;10.01,-2.72,;11.55,-2.72,;7.7,-1.38,;6.93,-2.72,;6.93,-.05,;7.7,1.28,;6.93,2.61,;5.39,-.05,;4.62,1.28,;3.08,1.28,;2.31,-.05,;.77,-.05,;0,1.28,;0,-1.38,;-1.54,-1.38,;-2.31,-.05,;-3.85,-.05,;-4.62,-1.38,;-6.16,-1.38,;-6.93,-.05,;-6.16,1.28,;-6.93,2.62,;-8.47,2.62,;-9.24,3.95,;-10.78,3.95,;-11.55,2.62,;-9.24,1.28,;-8.47,-.05,;-3.85,-2.72,;-2.31,-2.72,;3.08,-1.38,;2.31,-2.72,;3.08,-4.05,;4.62,-4.05,;5.39,-2.72,;4.62,-1.38,)|
Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-21-15-22(41-2)26(31)24(25(21)30)19-4-5-20(28-27(19)32-7-8-33-28)29(39)35-23-6-3-18(16-34-23)17-37-11-9-36(10-12-37)13-14-38/h3-8,15-16,38H,9-14,17H2,1-2H3,(H,34,35,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 20n/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))
BDBM102531
PNG
(US8536175, 106)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)cn2)c2nccnc12 |(11.55,2.62,;10.01,2.62,;9.24,1.28,;10.01,-.05,;9.24,-1.38,;10.01,-2.72,;11.55,-2.72,;7.7,-1.38,;6.93,-2.72,;6.93,-.05,;7.7,1.28,;6.93,2.61,;5.39,-.05,;4.62,1.28,;3.08,1.28,;2.31,-.05,;.77,-.05,;0,1.28,;0,-1.38,;-1.54,-1.38,;-2.31,-.05,;-3.85,-.05,;-4.62,-1.38,;-6.16,-1.38,;-6.93,-.05,;-6.16,1.28,;-6.93,2.62,;-8.47,2.62,;-9.24,3.95,;-10.78,3.95,;-11.55,2.62,;-9.24,1.28,;-8.47,-.05,;-3.85,-2.72,;-2.31,-2.72,;3.08,-1.38,;2.31,-2.72,;3.08,-4.05,;4.62,-4.05,;5.39,-2.72,;4.62,-1.38,)|
Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-21-15-22(41-2)26(31)24(25(21)30)19-4-5-20(28-27(19)32-7-8-33-28)29(39)35-23-6-3-18(16-34-23)17-37-11-9-36(10-12-37)13-14-38/h3-8,15-16,38H,9-14,17H2,1-2H3,(H,34,35,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 20n/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