BindingDB logo
myBDB logout

BDBM40268 5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide::5-(1,3-benzodioxol-5-yl)-N-(2-furfuryl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide::5-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide::5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide::MLS000072642::SMR000010609::cid_645580

SMILES: FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCc1ccco1)-c1ccc2OCOc2c1

InChI Key: InChIKey=GRVOHZQLIZJKLW-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 40268   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM40268
PNG
(5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(tr...)
Show SMILES FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCc1ccco1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H13F3N4O4/c21-20(22,23)17-7-13(11-3-4-15-16(6-11)31-10-30-15)25-18-8-14(26-27(17)18)19(28)24-9-12-2-1-5-29-12/h1-8H,9-10H2,(H,24,28)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase BAP1 (BRCA1-associated protein 1) (Cerebral protein 6).


(Homo sapiens (Human))
BDBM40268
PNG
(5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(tr...)
Show SMILES FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCc1ccco1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H13F3N4O4/c21-20(22,23)17-7-13(11-3-4-15-16(6-11)31-10-30-15)25-18-8-14(26-27(17)18)19(28)24-9-12-2-1-5-29-12/h1-8H,9-10H2,(H,24,28)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.04E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KW5DFJ
More data for this
Ligand-Target Pair