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SMILES: COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1

InChI Key: InChIKey=IXDPNCWLSMFJMU-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 = 75959   
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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM75959
PNG
(MLS000048934 | N-(4-methoxyphenyl)-2-[(4-phenyl-5-...)
Show SMILES COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N4O2S2/c1-27-17-11-9-15(10-12-17)22-19(26)14-29-21-24-23-20(18-8-5-13-28-18)25(21)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.09E+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/Q2BK19S0
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM75959
PNG
(MLS000048934 | N-(4-methoxyphenyl)-2-[(4-phenyl-5-...)
Show SMILES COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N4O2S2/c1-27-17-11-9-15(10-12-17)22-19(26)14-29-21-24-23-20(18-8-5-13-28-18)25(21)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.16E+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/Q26T0K34
More data for this
Ligand-Target Pair