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BDBM87313 1-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide::1-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide::1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide::1-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotamide::MLS001033523::SMR000385634::cid_2464730

SMILES: Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1

InChI Key: InChIKey=JOPVMTPXKOAVLA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 87313   
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))
BDBM87313
PNG
(1-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimid...)
Show SMILES Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1
Show InChI InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
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PCBioAssay
n/an/a 6.94E+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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87313
PNG
(1-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimid...)
Show SMILES Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1
Show InChI InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
MMDB

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n/an/a 1.21E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87313
PNG
(1-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimid...)
Show SMILES Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1
Show InChI InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
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n/an/a 8.59E+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/Q2794387
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87313
PNG
(1-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimid...)
Show SMILES Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1
Show InChI InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
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n/an/a 3.31E+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/Q2C24V0K
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87313
PNG
(1-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimid...)
Show SMILES Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1
Show InChI InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.33E+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