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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 = 'BDBM39050'   
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))
BDBM39050
PNG
(1-(4-methoxyphenyl)-4-(1-piperidinyl)pyrazolo[3,4-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCC1
Show InChI InChI=1S/C17H19N5O/c1-23-14-7-5-13(6-8-14)22-17-15(11-20-22)16(18-12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.39E+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))
BDBM39050
PNG
(1-(4-methoxyphenyl)-4-(1-piperidinyl)pyrazolo[3,4-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCC1
Show InChI InChI=1S/C17H19N5O/c1-23-14-7-5-13(6-8-14)22-17-15(11-20-22)16(18-12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.60E+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