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BDBM95256 2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsulfanyl)-N-phenethyl-acetamide::2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]-N-(2-phenylethyl)acetamide::2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide::2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(2-phenylethyl)ethanamide::2-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]-N-phenethyl-acetamide::MLS000558154::SMR000148870::cid_2014844

SMILES: Cc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1

InChI Key: InChIKey=LAQIBEHWRBFZQH-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 = 95256   
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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95256
PNG
(2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsul...)
Show SMILES Cc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H19N3O2S/c1-14-23-19-16-9-5-6-10-17(16)26-20(19)21(24-14)27-13-18(25)22-12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.43E+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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95256
PNG
(2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsul...)
Show SMILES Cc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H19N3O2S/c1-14-23-19-16-9-5-6-10-17(16)26-20(19)21(24-14)27-13-18(25)22-12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.25E+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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95256
PNG
(2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsul...)
Show SMILES Cc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H19N3O2S/c1-14-23-19-16-9-5-6-10-17(16)26-20(19)21(24-14)27-13-18(25)22-12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.36E+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