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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 = 'BDBM39062'   
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))
BDBM39062
PNG
(2-(1-ethyl-4-pyridinylidene)indene-1,3-dione | 2-(...)
Show SMILES [#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6|
Show InChI InChI=1S/C16H13NO2/c1-2-17-9-7-11(8-10-17)14-15(18)12-5-3-4-6-13(12)16(14)19/h3-10H,2H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 903n/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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM39062
PNG
(2-(1-ethyl-4-pyridinylidene)indene-1,3-dione | 2-(...)
Show SMILES [#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6|
Show InChI InChI=1S/C16H13NO2/c1-2-17-9-7-11(8-10-17)14-15(18)12-5-3-4-6-13(12)16(14)19/h3-10H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.20E+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