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SMILES: Fc1ccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c(Cl)c1

InChI Key: InChIKey=PRJILNKFIGRJID-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 = 95249   
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...)
BDBM95249
PNG
(MLS000086249 | N-(2-chloranyl-4-fluoranyl-phenyl)-...)
Show SMILES Fc1ccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c(Cl)c1
Show InChI InChI=1S/C20H17ClFN3O2/c21-15-11-13(22)6-8-16(15)24-19(26)12-5-7-14-17(10-12)23-18-4-2-1-3-9-25(18)20(14)27/h5-8,10-11H,1-4,9H2,(H,24,26)
PDB

UniProtKB/SwissProt

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PC sid
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PCBioAssay
n/an/a>6.71E+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...)
BDBM95249
PNG
(MLS000086249 | N-(2-chloranyl-4-fluoranyl-phenyl)-...)
Show SMILES Fc1ccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c(Cl)c1
Show InChI InChI=1S/C20H17ClFN3O2/c21-15-11-13(22)6-8-16(15)24-19(26)12-5-7-14-17(10-12)23-18-4-2-1-3-9-25(18)20(14)27/h5-8,10-11H,1-4,9H2,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.58E+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...)
BDBM95249
PNG
(MLS000086249 | N-(2-chloranyl-4-fluoranyl-phenyl)-...)
Show SMILES Fc1ccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c(Cl)c1
Show InChI InChI=1S/C20H17ClFN3O2/c21-15-11-13(22)6-8-16(15)24-19(26)12-5-7-14-17(10-12)23-18-4-2-1-3-9-25(18)20(14)27/h5-8,10-11H,1-4,9H2,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.08E+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