BindingDB logo
myBDB logout

BDBM95254 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylphenyl)-3-piperidinecarboxamide::1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylphenyl)piperidine-3-carboxamide::MLS000521829::N-(m-tolyl)-1-piazthiol-4-ylsulfonyl-nipecotamide::SMR000132237::cid_9551239

SMILES: Cc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3nsnc23)c1

InChI Key: InChIKey=HCUCNRKKHBZIBP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 95254   
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...)
BDBM95254
PNG
(1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methyl...)
Show SMILES Cc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3nsnc23)c1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-5-2-7-15(11-13)20-19(24)14-6-4-10-23(12-14)28(25,26)17-9-3-8-16-18(17)22-27-21-16/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.29E+3n/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...)
BDBM95254
PNG
(1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methyl...)
Show SMILES Cc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3nsnc23)c1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-5-2-7-15(11-13)20-19(24)14-6-4-10-23(12-14)28(25,26)17-9-3-8-16-18(17)22-27-21-16/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.33E+3n/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...)
BDBM95254
PNG
(1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methyl...)
Show SMILES Cc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3nsnc23)c1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-5-2-7-15(11-13)20-19(24)14-6-4-10-23(12-14)28(25,26)17-9-3-8-16-18(17)22-27-21-16/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.88E+3n/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