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BDBM75982 1-(1-azepanyl)-2-[(6-thiophen-2-yl-3-pyridazinyl)thio]ethanone::1-(azepan-1-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanyl-ethanone::1-(azepan-1-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone::1-(azepan-1-yl)-2-[[6-(2-thienyl)pyridazin-3-yl]thio]ethanone::MLS000696688::SMR000237157::cid_12006171

SMILES: O=C(CSc1ccc(nn1)-c1cccs1)N1CCCCCC1

InChI Key: InChIKey=RXYOXCJOFGRJCA-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 = 75982   
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))
BDBM75982
PNG
(1-(1-azepanyl)-2-[(6-thiophen-2-yl-3-pyridazinyl)t...)
Show SMILES O=C(CSc1ccc(nn1)-c1cccs1)N1CCCCCC1
Show InChI InChI=1S/C16H19N3OS2/c20-16(19-9-3-1-2-4-10-19)12-22-15-8-7-13(17-18-15)14-6-5-11-21-14/h5-8,11H,1-4,9-10,12H2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.73E+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
Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM75982
PNG
(1-(1-azepanyl)-2-[(6-thiophen-2-yl-3-pyridazinyl)t...)
Show SMILES O=C(CSc1ccc(nn1)-c1cccs1)N1CCCCCC1
Show InChI InChI=1S/C16H19N3OS2/c20-16(19-9-3-1-2-4-10-19)12-22-15-8-7-13(17-18-15)14-6-5-11-21-14/h5-8,11H,1-4,9-10,12H2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
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/Q26T0K34
More data for this
Ligand-Target Pair