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BDBM66180 5-Isopropyl-10-thioxo-1,2,3,4,10,11-hexahydro-9H-7-thia-6,9,11-triaza-benzo[c]fluoren-8-one::MLS000778188::SMR000414964::cid_929935

SMILES: CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCCc12

InChI Key: InChIKey=LPSZYSLEMTUXMK-UHFFFAOYSA-N

Data: 2 IC50

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 = 66180   
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
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM66180
PNG
(5-Isopropyl-10-thioxo-1,2,3,4,10,11-hexahydro-9H-7...)
Show SMILES CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCCc12
Show InChI InChI=1S/C16H17N3OS2/c1-7(2)11-9-6-4-3-5-8(9)10-12-13(22-15(10)17-11)14(20)19-16(21)18-12/h7H,3-6H2,1-2H3,(H2,18,19,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.30E+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))
BDBM66180
PNG
(5-Isopropyl-10-thioxo-1,2,3,4,10,11-hexahydro-9H-7...)
Show SMILES CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCCc12
Show InChI InChI=1S/C16H17N3OS2/c1-7(2)11-9-6-4-3-5-8(9)10-12-13(22-15(10)17-11)14(20)19-16(21)18-12/h7H,3-6H2,1-2H3,(H2,18,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.90E+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/Q2D21W22
More data for this
Ligand-Target Pair