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BDBM87261 MLS000554094::N'-(4-Cyano-5-ethyl-5H-pyrido[4,3-b]indol-3-yl)-N,N-dimethyl-formamidine::N'-(4-cyano-5-ethyl-3-pyrido[4,3-b]indolyl)-N,N-dimethylmethanimidamide::N'-(4-cyano-5-ethyl-pyrid[4,3-b]indol-3-yl)-N,N-dimethyl-formamidine::N'-(4-cyano-5-ethyl-pyrido[4,3-b]indol-3-yl)-N,N-dimethyl-methanimidamide::N'-(4-cyano-5-ethylpyrido[4,3-b]indol-3-yl)-N,N-dimethylmethanimidamide::SMR000146411::cid_3707292

SMILES: CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12

InChI Key: InChIKey=YFCZICHODYUOFU-RGVLZGJSSA-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 = 87261   
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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87261
PNG
(MLS000554094 | N'-(4-Cyano-5-ethyl-5H-pyrido[4...)
Show SMILES CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12
Show InChI InChI=1S/C17H17N5/c1-4-22-15-8-6-5-7-12(15)14-10-19-17(20-11-21(2)3)13(9-18)16(14)22/h5-8,10-11H,4H2,1-3H3/b20-11+
MMDB

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PCBioAssay
n/an/a 2.42E+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))
BDBM87261
PNG
(MLS000554094 | N'-(4-Cyano-5-ethyl-5H-pyrido[4...)
Show SMILES CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12
Show InChI InChI=1S/C17H17N5/c1-4-22-15-8-6-5-7-12(15)14-10-19-17(20-11-21(2)3)13(9-18)16(14)22/h5-8,10-11H,4H2,1-3H3/b20-11+
PDB
MMDB

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n/an/a 1.13E+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/Q28914F2
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87261
PNG
(MLS000554094 | N'-(4-Cyano-5-ethyl-5H-pyrido[4...)
Show SMILES CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12
Show InChI InChI=1S/C17H17N5/c1-4-22-15-8-6-5-7-12(15)14-10-19-17(20-11-21(2)3)13(9-18)16(14)22/h5-8,10-11H,4H2,1-3H3/b20-11+
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n/an/a 4.94E+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
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87261
PNG
(MLS000554094 | N'-(4-Cyano-5-ethyl-5H-pyrido[4...)
Show SMILES CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12
Show InChI InChI=1S/C17H17N5/c1-4-22-15-8-6-5-7-12(15)14-10-19-17(20-11-21(2)3)13(9-18)16(14)22/h5-8,10-11H,4H2,1-3H3/b20-11+
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n/an/a 1.12E+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/Q2794387
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87261
PNG
(MLS000554094 | N'-(4-Cyano-5-ethyl-5H-pyrido[4...)
Show SMILES CCn1c2ccccc2c2cnc(\N=C\N(C)C)c(C#N)c12
Show InChI InChI=1S/C17H17N5/c1-4-22-15-8-6-5-7-12(15)14-10-19-17(20-11-21(2)3)13(9-18)16(14)22/h5-8,10-11H,4H2,1-3H3/b20-11+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.13E+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/Q2C24V0K
More data for this
Ligand-Target Pair