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SMILES: CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3Cl)C(=O)NC)nc(OC3CCOCC3)c12

InChI Key: InChIKey=YGZQMRHVQUGUPG-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 = 317483   
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))
BDBM317483
PNG
(3-chloro-N-methyl-4-(5-(4- (methylcarbamoyl)phenyl...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3Cl)C(=O)NC)nc(OC3CCOCC3)c12
Show InChI InChI=1S/C27H27ClN6O4/c1-29-24(35)16-5-3-15(4-6-16)19-14-31-23-22(19)26(38-18-9-11-37-12-10-18)34-27(33-23)32-21-8-7-17(13-20(21)28)25(36)30-2/h3-8,13-14,18H,9-12H2,1-2H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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))
BDBM317483
PNG
(3-chloro-N-methyl-4-(5-(4- (methylcarbamoyl)phenyl...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3Cl)C(=O)NC)nc(OC3CCOCC3)c12
Show InChI InChI=1S/C27H27ClN6O4/c1-29-24(35)16-5-3-15(4-6-16)19-14-31-23-22(19)26(38-18-9-11-37-12-10-18)34-27(33-23)32-21-8-7-17(13-20(21)28)25(36)30-2/h3-8,13-14,18H,9-12H2,1-2H3,(H,29,35)(H,30,36)(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 84.6n/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