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SMILES: COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NCc1cccs1

InChI Key: InChIKey=CKHXDQBENOJBPH-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 = 43759   
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
G2/mitotic-specific cyclin-B1


(Homo sapiens (Human))
BDBM43759
PNG
(MLS000520448 | N-(2-thenyl)-3-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NCc1cccs1 |t:13|
Show InChI InChI=1S/C18H20N2O5S/c1-22-14-7-11(8-15(23-2)17(14)24-3)13-9-16(25-20-13)18(21)19-10-12-5-4-6-26-12/h4-8,16H,9-10H2,1-3H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>4.98E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2833QDB
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM43759
PNG
(MLS000520448 | N-(2-thenyl)-3-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NCc1cccs1 |t:13|
Show InChI InChI=1S/C18H20N2O5S/c1-22-14-7-11(8-15(23-2)17(14)24-3)13-9-16(25-20-13)18(21)19-10-12-5-4-6-26-12/h4-8,16H,9-10H2,1-3H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>4.98E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CV4G4R
More data for this
Ligand-Target Pair