BindingDB logo
myBDB logout

null

SMILES: CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N

InChI Key: InChIKey=LKXRCCNLXMBJTG-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 = 95255   
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...)
BDBM95255
PNG
(2-amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piper...)
Show SMILES CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N
Show InChI InChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.05E+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...)
BDBM95255
PNG
(2-amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piper...)
Show SMILES CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N
Show InChI InChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.00E+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...)
BDBM95255
PNG
(2-amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piper...)
Show SMILES CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N
Show InChI InChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.44E+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