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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-alpha' and Ligand = 'BDBM31058'   
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 ROR-alpha


(Homo sapiens (Human))
BDBM31058
PNG
(3-(2-methoxyphenyl)-6-p-phenetyl-7H-[1,2,4]triazol...)
Show SMILES CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3
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PCBioAssay
n/an/a 1.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc700189b
BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM31058
PNG
(3-(2-methoxyphenyl)-6-p-phenetyl-7H-[1,2,4]triazol...)
Show SMILES CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PCBioAssay
n/an/a 1.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair