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SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2nc(C)c(C)nc12

InChI Key: InChIKey=QVHRLAQYPAUDKQ-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 = 102533   
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))
BDBM102533
PNG
(US8536175, 122)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2nc(C)c(C)nc12 |(10.39,-2,;8.85,-2,;8.08,-.67,;8.85,.67,;8.08,2,;8.85,3.33,;8.08,4.67,;6.54,2,;5.78,3.33,;5.78,.67,;6.54,-.67,;5.78,-2,;4.23,.67,;3.47,2,;1.93,2,;1.15,.67,;-.38,.67,;-1.15,2,;-1.15,-.67,;-2.69,-.67,;-3.47,.67,;-5,.67,;-5.78,-.67,;-7.31,-.67,;-8.08,.67,;-7.31,2,;-8.08,3.33,;-9.63,3.33,;-10.39,4.67,;-10.39,2,;-9.63,.67,;-5,-2,;-3.47,-2,;1.93,-.67,;1.15,-2,;1.93,-3.33,;1.15,-4.67,;3.47,-3.33,;4.23,-4.67,;4.23,-2,;3.47,-.67,)|
Show InChI InChI=1S/C30H32Cl2N6O3/c1-17-18(2)35-29-21(30(39)36-24-9-6-19(15-33-24)16-38-12-10-37(3)11-13-38)8-7-20(28(29)34-17)25-26(31)22(40-4)14-23(41-5)27(25)32/h6-9,14-15H,10-13,16H2,1-5H3,(H,33,36,39)
PDB
MMDB

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Similars

US Patent
n/an/a 14n/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))
BDBM102533
PNG
(US8536175, 122)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2nc(C)c(C)nc12 |(10.39,-2,;8.85,-2,;8.08,-.67,;8.85,.67,;8.08,2,;8.85,3.33,;8.08,4.67,;6.54,2,;5.78,3.33,;5.78,.67,;6.54,-.67,;5.78,-2,;4.23,.67,;3.47,2,;1.93,2,;1.15,.67,;-.38,.67,;-1.15,2,;-1.15,-.67,;-2.69,-.67,;-3.47,.67,;-5,.67,;-5.78,-.67,;-7.31,-.67,;-8.08,.67,;-7.31,2,;-8.08,3.33,;-9.63,3.33,;-10.39,4.67,;-10.39,2,;-9.63,.67,;-5,-2,;-3.47,-2,;1.93,-.67,;1.15,-2,;1.93,-3.33,;1.15,-4.67,;3.47,-3.33,;4.23,-4.67,;4.23,-2,;3.47,-.67,)|
Show InChI InChI=1S/C30H32Cl2N6O3/c1-17-18(2)35-29-21(30(39)36-24-9-6-19(15-33-24)16-38-12-10-37(3)11-13-38)8-7-20(28(29)34-17)25-26(31)22(40-4)14-23(41-5)27(25)32/h6-9,14-15H,10-13,16H2,1-5H3,(H,33,36,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 14n/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