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9 similar compounds to monomer 50009998

Compile data set for download or QSAR
Wt: 264.2
BDBM31389
Wt: 229.2
BDBM50009982
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Wt: 208.2
BDBM50009986
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Wt: 207.2
BDBM50009987
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Wt: 211.1
BDBM50009988
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Wt: 243.2
BDBM50009989
Wt: 243.2
BDBM50009991
Wt: 179.1
BDBM50009999
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Wt: 193.1
BDBM50016613
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 31389,50009982,50009986,50009987,50009988,50009989,50009991,50009999,50016613   
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
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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2.75E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in pig LLC-PK11 cells


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31389
PNG
(CHEMBL29180 | terephthalamide scaffold, 36)
Show SMILES COC(=O)CNC(=O)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C13H16N2O4/c1-15(2)13(18)10-6-4-9(5-7-10)12(17)14-8-11(16)19-3/h4-7H,8H2,1-3H3,(H,14,17)
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>3.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide


Bioorg Med Chem Lett 14: 1375-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.096
BindingDB Entry DOI: 10.7270/Q2D799V3
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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5.56E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1 expressed in Xenopus oocytes


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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5.62E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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6.60E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Oat1 expressed in HEK293 cells


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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3.12E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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n/an/a 3.30E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009982
PNG
(CHEMBL8798 | [(Naphthalene-2-carbonyl)-amino]-acet...)
Show SMILES OC(=O)CNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H11NO3/c15-12(16)8-14-13(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,14,17)(H,15,16)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 25-64


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50016613
PNG
((4-Methyl-benzoylamino)-acetic acid | 4-Methylhipp...)
Show SMILES Cc1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
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n/an/a 2.20E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 110 - 430


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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n/an/a 3.30E+5n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase from rat lens. Value ranges from 280 - 490


J Med Chem 32: 1033-8 (1989)


Article DOI: 10.1021/jm00125a017
BindingDB Entry DOI: 10.7270/Q2CV4GQC
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
BDBM50009999
PNG
(CHEMBL461 | N-benzoylglycine)
Show SMILES OC(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Tokyo Women's Medical University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT-expressing OK cells


Br J Pharmacol 135: 555-63 (2002)


Article DOI: 10.1038/sj.bjp.0704482
BindingDB Entry DOI: 10.7270/Q21J9C29
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009991
PNG
(CHEMBL67731 | [Methyl-(naphthalene-2-carbonyl)-ami...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H13NO3/c1-15(9-13(16)17)14(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H,16,17)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009989
PNG
(CHEMBL66895 | [Methyl-(naphthalene-1-carbonyl)-ami...)
Show SMILES CN(CC(O)=O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C14H13NO3/c1-15(9-13(16)17)14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,16,17)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009988
PNG
(CHEMBL308007 | [(4-Fluoro-benzoyl)-methyl-amino]-a...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009987
PNG
(CHEMBL67014 | [Methyl-(4-methyl-benzoyl)-amino]-ac...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C11H13NO3/c1-8-3-5-9(6-4-8)11(15)12(2)7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009986
PNG
(CHEMBL67361 | [(4-Amino-benzoyl)-methyl-amino]-ace...)
Show SMILES CN(CC(O)=O)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H12N2O3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6,11H2,1H3,(H,13,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31389
PNG
(CHEMBL29180 | terephthalamide scaffold, 36)
Show SMILES COC(=O)CNC(=O)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C13H16N2O4/c1-15(2)13(18)10-6-4-9(5-7-10)12(17)14-8-11(16)19-3/h4-7H,8H2,1-3H3,(H,14,17)
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n/an/an/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50009982
PNG
(CHEMBL8798 | [(Naphthalene-2-carbonyl)-amino]-acet...)
Show SMILES OC(=O)CNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H11NO3/c15-12(16)8-14-13(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,14,17)(H,15,16)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Auburn University

Curated by ChEMBL


Assay Description
Inhibitory activity against aldose reductase in rat lens


J Med Chem 34: 2120-6 (1991)


Article DOI: 10.1021/jm00111a030
BindingDB Entry DOI: 10.7270/Q2N29VX2
More data for this
Ligand-Target Pair