BindingDB logo
myBDB logout

null

SMILES: FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc12

InChI Key: InChIKey=UBMZTKJUXORQQF-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 3 hits for monomerid = 56251   
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
Kallikrein-5


(Homo sapiens (Human))
BDBM56251
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-[2-(triflu...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C19H12F3N3O2S/c20-19(21,22)12-6-2-3-7-13(12)25-15(26)9-28-18-17-16(23-10-24-18)11-5-1-4-8-14(11)27-17/h1-8,10H,9H2,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM56251
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-[2-(triflu...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C19H12F3N3O2S/c20-19(21,22)12-6-2-3-7-13(12)25-15(26)9-28-18-17-16(23-10-24-18)11-5-1-4-8-14(11)27-17/h1-8,10H,9H2,(H,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM56251
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-[2-(triflu...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C19H12F3N3O2S/c20-19(21,22)12-6-2-3-7-13(12)25-15(26)9-28-18-17-16(23-10-24-18)11-5-1-4-8-14(11)27-17/h1-8,10H,9H2,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair