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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor coactivator 1' and Ligand = 'BDBM87261'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PC cid
PC sid
UniChem

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PCBioAssay
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 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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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/Q28914F2
More data for this
Ligand-Target Pair