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SMILES: CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(c1)C(C)C

InChI Key: InChIKey=CQVPRKIEJBHBLO-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 = 317456   
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
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM317456
PNG
(4-(4-(cyclopentyloxy)-5-(4- hydroxyphenyl)-7H-pyrr...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(c1)C(C)C
Show InChI InChI=1S/C28H31N5O3/c1-16(2)21-14-18(26(35)29-3)10-13-23(21)31-28-32-25-24(27(33-28)36-20-6-4-5-7-20)22(15-30-25)17-8-11-19(34)12-9-17/h8-16,20,34H,4-7H2,1-3H3,(H,29,35)(H2,30,31,32,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34.9n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...


US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM317456
PNG
(4-(4-(cyclopentyloxy)-5-(4- hydroxyphenyl)-7H-pyrr...)
Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(c1)C(C)C
Show InChI InChI=1S/C28H31N5O3/c1-16(2)21-14-18(26(35)29-3)10-13-23(21)31-28-32-25-24(27(33-28)36-20-6-4-5-7-20)22(15-30-25)17-8-11-19(34)12-9-17/h8-16,20,34H,4-7H2,1-3H3,(H,29,35)(H2,30,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 299n/an/an/an/an/an/a



Signal Pharmaceuticals, LLC

US Patent


Assay Description
The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...


US Patent US9623028 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34R8
More data for this
Ligand-Target Pair