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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)' and Ligand = 'BDBM38903'   
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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38903
PNG
(6-(4-ethylphenyl)-2,3-dimethyl-imidazo[1,2-b][1,2,...)
Show SMILES CCc1ccc(cc1)-c1cn2nc(C)c(C)nc2n1
Show InChI InChI=1S/C15H16N4/c1-4-12-5-7-13(8-6-12)14-9-19-15(17-14)16-10(2)11(3)18-19/h5-9H,4H2,1-3H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.50E+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)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38903
PNG
(6-(4-ethylphenyl)-2,3-dimethyl-imidazo[1,2-b][1,2,...)
Show SMILES CCc1ccc(cc1)-c1cn2nc(C)c(C)nc2n1
Show InChI InChI=1S/C15H16N4/c1-4-12-5-7-13(8-6-12)14-9-19-15(17-14)16-10(2)11(3)18-19/h5-9H,4H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.06E+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)


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