BindingDB logo
myBDB logout

BDBM64718 MLS001000456::N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-thieno[2,3-d]pyrimidinamine;hydrochloride::N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-amine;hydrochloride::N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride::N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride::SMR000498336::cid_2974648::homoveratryl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amine;hydrochloride

SMILES: COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC

InChI Key: InChIKey=CRLNCEZRMMLCIH-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 64718   
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
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM64718
PNG
(MLS001000456 | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-...)
Show SMILES COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
Show InChI InChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM64718
PNG
(MLS001000456 | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-...)
Show SMILES COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
Show InChI InChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.85E+4n/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM64718
PNG
(MLS001000456 | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-...)
Show SMILES COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
Show InChI InChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 430n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair