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SMILES: COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1

InChI Key: InChIKey=FFTDENXSAXUNNN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 39557   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM39557
PNG
(5-amino-1-(4-bromo-2-fluoro-benzyl)-N-(3-methoxyph...)
Show SMILES COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1
Show InChI InChI=1S/C17H15BrFN5O2/c1-26-13-4-2-3-12(8-13)21-17(25)15-16(20)24(23-22-15)9-10-5-6-11(18)7-14(10)19/h2-8H,9,20H2,1H3,(H,21,25)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.57E+3n/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/Q2RJ4GVG
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM39557
PNG
(5-amino-1-(4-bromo-2-fluoro-benzyl)-N-(3-methoxyph...)
Show SMILES COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1
Show InChI InChI=1S/C17H15BrFN5O2/c1-26-13-4-2-3-12(8-13)21-17(25)15-16(20)24(23-22-15)9-10-5-6-11(18)7-14(10)19/h2-8H,9,20H2,1H3,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.38E+3n/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/Q2028PXQ
More data for this
Ligand-Target Pair