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BDBM87349 MLS001159504::N-(2-tert-butylphenyl)-1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide::N-(2-tert-butylphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide::N-(2-tert-butylphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide::SMR000709301::cid_18279608

SMILES: Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C(C)(C)C)c2c1C

InChI Key: InChIKey=PAQQOKFZCHHBRE-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 = 87349   
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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87349
PNG
(MLS001159504 | N-(2-tert-butylphenyl)-1-(5,6-dimet...)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C(C)(C)C)c2c1C
Show InChI InChI=1S/C24H30N4OS/c1-15-16(2)30-23-20(15)21(25-14-26-23)28-12-10-17(11-13-28)22(29)27-19-9-7-6-8-18(19)24(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,27,29)
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PCBioAssay
n/an/a 5.75E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87349
PNG
(MLS001159504 | N-(2-tert-butylphenyl)-1-(5,6-dimet...)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C(C)(C)C)c2c1C
Show InChI InChI=1S/C24H30N4OS/c1-15-16(2)30-23-20(15)21(25-14-26-23)28-12-10-17(11-13-28)22(29)27-19-9-7-6-8-18(19)24(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,27,29)
PDB
MMDB

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antibodypedia
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UniChem

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PCBioAssay
n/an/a 7.15E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87349
PNG
(MLS001159504 | N-(2-tert-butylphenyl)-1-(5,6-dimet...)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C(C)(C)C)c2c1C
Show InChI InChI=1S/C24H30N4OS/c1-15-16(2)30-23-20(15)21(25-14-26-23)28-12-10-17(11-13-28)22(29)27-19-9-7-6-8-18(19)24(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,27,29)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.88E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair