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BDBM95266 (2E)-1-(4-methoxyphenyl)-2-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)ethanone::1-(4-methoxyphenyl)-2-(7-methyl[1,3]dioxolo[4,5-f][1,3]benzothiazol-6(7H)-ylidene)ethanone::MLS000577032::SMR000198112::cid_2185557

SMILES: COc1ccc(cc1)C(=O)\C=C1\Sc2cc3OCOc3cc2N1C

InChI Key: InChIKey=FIWZFLHIRYSPQG-QGMBQPNBSA-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 = 95266   
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...)
BDBM95266
PNG
((2E)-1-(4-methoxyphenyl)-2-(7-methyl-[1,3]dioxolo[...)
Show SMILES COc1ccc(cc1)C(=O)\C=C1\Sc2cc3OCOc3cc2N1C
Show InChI InChI=1S/C18H15NO4S/c1-19-13-7-15-16(23-10-22-15)9-17(13)24-18(19)8-14(20)11-3-5-12(21-2)6-4-11/h3-9H,10H2,1-2H3/b18-8+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95266
PNG
((2E)-1-(4-methoxyphenyl)-2-(7-methyl-[1,3]dioxolo[...)
Show SMILES COc1ccc(cc1)C(=O)\C=C1\Sc2cc3OCOc3cc2N1C
Show InChI InChI=1S/C18H15NO4S/c1-19-13-7-15-16(23-10-22-15)9-17(13)24-18(19)8-14(20)11-3-5-12(21-2)6-4-11/h3-9H,10H2,1-2H3/b18-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.45E+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...)
BDBM95266
PNG
((2E)-1-(4-methoxyphenyl)-2-(7-methyl-[1,3]dioxolo[...)
Show SMILES COc1ccc(cc1)C(=O)\C=C1\Sc2cc3OCOc3cc2N1C
Show InChI InChI=1S/C18H15NO4S/c1-19-13-7-15-16(23-10-22-15)9-17(13)24-18(19)8-14(20)11-3-5-12(21-2)6-4-11/h3-9H,10H2,1-2H3/b18-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.42E+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