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SMILES: CCSc1nnc(NC(=O)c2cc3CCCCc3s2)s1

InChI Key: InChIKey=AAPNAISFQCCYES-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 = 95250   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95250
PNG
(MLS000065772 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2cc3CCCCc3s2)s1
Show InChI InChI=1S/C13H15N3OS3/c1-2-18-13-16-15-12(20-13)14-11(17)10-7-8-5-3-4-6-9(8)19-10/h7H,2-6H2,1H3,(H,14,15,17)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95250
PNG
(MLS000065772 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2cc3CCCCc3s2)s1
Show InChI InChI=1S/C13H15N3OS3/c1-2-18-13-16-15-12(20-13)14-11(17)10-7-8-5-3-4-6-9(8)19-10/h7H,2-6H2,1H3,(H,14,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.72E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95250
PNG
(MLS000065772 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2cc3CCCCc3s2)s1
Show InChI InChI=1S/C13H15N3OS3/c1-2-18-13-16-15-12(20-13)14-11(17)10-7-8-5-3-4-6-9(8)19-10/h7H,2-6H2,1H3,(H,14,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair