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BDBM60628 3-[[4-(4-hydroxyphenyl)-1-piperazinyl]-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-6,7-dimethoxy-1H-quinolin-2-one::3-[[4-(4-hydroxyphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one::3-[[4-(4-hydroxyphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one::3-[[4-(4-hydroxyphenyl)piperazino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-carbostyril::MLS000703426::SMR000273890::cid_3187830

SMILES: COCCn1nnnc1C(N1CCN(CC1)c1ccc(O)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O

InChI Key: InChIKey=HCYXLTSRTYEUSK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 60628   
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
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM60628
PNG
(3-[[4-(4-hydroxyphenyl)-1-piperazinyl]-[1-(2-metho...)
Show SMILES COCCn1nnnc1C(N1CCN(CC1)c1ccc(O)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O
Show InChI InChI=1S/C26H31N7O5/c1-36-13-12-33-25(28-29-30-33)24(32-10-8-31(9-11-32)18-4-6-19(34)7-5-18)20-14-17-15-22(37-2)23(38-3)16-21(17)27-26(20)35/h4-7,14-16,24,34H,8-13H2,1-3H3,(H,27,35)
UniProtKB/TrEMBL

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n/an/a 2.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM60628
PNG
(3-[[4-(4-hydroxyphenyl)-1-piperazinyl]-[1-(2-metho...)
Show SMILES COCCn1nnnc1C(N1CCN(CC1)c1ccc(O)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O
Show InChI InChI=1S/C26H31N7O5/c1-36-13-12-33-25(28-29-30-33)24(32-10-8-31(9-11-32)18-4-6-19(34)7-5-18)20-14-17-15-22(37-2)23(38-3)16-21(17)27-26(20)35/h4-7,14-16,24,34H,8-13H2,1-3H3,(H,27,35)
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n/an/a 3.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM60628
PNG
(3-[[4-(4-hydroxyphenyl)-1-piperazinyl]-[1-(2-metho...)
Show SMILES COCCn1nnnc1C(N1CCN(CC1)c1ccc(O)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O
Show InChI InChI=1S/C26H31N7O5/c1-36-13-12-33-25(28-29-30-33)24(32-10-8-31(9-11-32)18-4-6-19(34)7-5-18)20-14-17-15-22(37-2)23(38-3)16-21(17)27-26(20)35/h4-7,14-16,24,34H,8-13H2,1-3H3,(H,27,35)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM60628
PNG
(3-[[4-(4-hydroxyphenyl)-1-piperazinyl]-[1-(2-metho...)
Show SMILES COCCn1nnnc1C(N1CCN(CC1)c1ccc(O)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O
Show InChI InChI=1S/C26H31N7O5/c1-36-13-12-33-25(28-29-30-33)24(32-10-8-31(9-11-32)18-4-6-19(34)7-5-18)20-14-17-15-22(37-2)23(38-3)16-21(17)27-26(20)35/h4-7,14-16,24,34H,8-13H2,1-3H3,(H,27,35)
PDB

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UniProtKB/TrEMBL

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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair