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BDBM100250 MLS001159328::N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide::N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide::N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide::SMR000708794::cid_24981266

SMILES: COc1ccc(cc1OC)-c1csc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)n1

InChI Key: InChIKey=YTWFAJCIDYCHBH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 100250   
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
Tegument protein VP16


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100250
PNG
(MLS001159328 | N-[4-(3,4-dimethoxyphenyl)-1,3-thia...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)n1
Show InChI InChI=1S/C25H27N5O3S2/c1-14-15(2)35-24-21(14)22(26-13-27-24)30-9-7-16(8-10-30)23(31)29-25-28-18(12-34-25)17-5-6-19(32-3)20(11-17)33-4/h5-6,11-13,16H,7-10H2,1-4H3,(H,28,29,31)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.57E+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
COUP transcription factor 2


(Homo sapiens (Human))
BDBM100250
PNG
(MLS001159328 | N-[4-(3,4-dimethoxyphenyl)-1,3-thia...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)n1
Show InChI InChI=1S/C25H27N5O3S2/c1-14-15(2)35-24-21(14)22(26-13-27-24)30-9-7-16(8-10-30)23(31)29-25-28-18(12-34-25)17-5-6-19(32-3)20(11-17)33-4/h5-6,11-13,16H,7-10H2,1-4H3,(H,28,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.82E+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