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BDBM334340 1-(2,3-Dichloro-4-((2-((3-(cyclopropylsulfonyl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)-3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)urea::US9732063, Example 24

SMILES: CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)S(=O)(=O)C4CC4)n3)c(Cl)c2Cl)n(n1)-c1ccc(C)cc1

InChI Key: InChIKey=VOYFMGMBXYOYAM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 334340   
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
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM334340
PNG
(1-(2,3-Dichloro-4-((2-((3-(cyclopropylsulfonyl)phe...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(c4)S(=O)(=O)C4CC4)n3)c(Cl)c2Cl)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C33H31Cl2N7O4S/c1-19(2)26-18-28(42(41-26)22-9-7-20(3)8-10-22)39-33(43)38-25-13-14-27(31(35)30(25)34)46-29-15-16-36-32(40-29)37-21-5-4-6-24(17-21)47(44,45)23-11-12-23/h4-10,13-19,23H,11-12H2,1-3H3,(H,36,37,40)(H2,38,39,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 117n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9732063 (2017)


Article DOI: 10.1021/jm060978s
More data for this
Ligand-Target Pair