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12 similar compounds to monomer 50089924

Compile data set for download or QSAR
Wt: 561.9
BDBM50089931
Wt: 471.7
BDBM50089934
Wt: 414.7
BDBM50089940
Wt: 415.7
BDBM50089942
Wt: 510.2
BDBM50089946
Wt: 523.9
BDBM50089953
Wt: 484.8
BDBM50089955
Wt: 391.8
BDBM50089915
Wt: 459.4
BDBM50089918
Wt: 464.3
BDBM50089926
Wt: 391.4
BDBM50208581
Wt: 395.8
BDBM50208582

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50089931,50089934,50089940,50089942,50089946,50089953,50089955,50089915,50089918,50089926,50208581,50208582   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50089918
PNG
(CHEMBL3581059)
Show SMILES CN1Cc2cc(ccc2Oc2ccc(cc12)C(F)(F)F)-c1cccc(n1)[C@H](O)[C@@H](O)C(N)=O
Show InChI InChI=1S/C23H20F3N3O4/c1-29-11-13-9-12(15-3-2-4-16(28-15)20(30)21(31)22(27)32)5-7-18(13)33-19-8-6-14(10-17(19)29)23(24,25)26/h2-10,20-21,30-31H,11H2,1H3,(H2,27,32)/t20-,21+/m0/s1
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920n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) by electrophysiological assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50089915
PNG
(CHEMBL3581053)
Show SMILES CC(=O)N1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
Show InChI InChI=1S/C22H18ClN3O2/c1-13(27)26-20-9-7-14(18-3-2-4-19(25-18)22(24)28)11-15(20)5-6-16-12-17(23)8-10-21(16)26/h2-4,7-12H,5-6H2,1H3,(H2,24,28)
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3.03E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) by electrophysiological assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089931
PNG
(CHEMBL3581197)
Show SMILES C[C@@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1
Show InChI InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19?/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089934
PNG
(CHEMBL3581194)
Show SMILES COC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H17Cl3O4S/c1-28-19(27)8-11-5-6-13(22)18(7-11)29-21-16(25)9-12(10-17(21)26)20-14(23)3-2-4-15(20)24/h2-7,12,25H,8-10H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089940
PNG
(CHEMBL3581188)
Show SMILES Nc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C18H14Cl3NO2S/c19-11-5-4-10(22)8-16(11)25-18-14(23)6-9(7-15(18)24)17-12(20)2-1-3-13(17)21/h1-5,8-9,23H,6-7,22H2
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n/an/a 640n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089942
PNG
(CHEMBL3581186)
Show SMILES OC1=C(Sc2cc(O)ccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H13Cl3O3S/c19-11-5-4-10(22)8-16(11)25-18-14(23)6-9(7-15(18)24)17-12(20)2-1-3-13(17)21/h1-5,8-9,22-23H,6-7H2
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n/an/a 120n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089946
PNG
(CHEMBL3581182)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1Cl
Show InChI InChI=1S/C24H16Cl4O2S/c25-16-6-2-1-5-14(16)15-9-10-18(27)22(23(15)28)13-11-19(29)24(20(30)12-13)31-21-8-4-3-7-17(21)26/h1-10,13,29H,11-12H2
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n/an/a 60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089953
PNG
(CHEMBL3581175)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2CC2)c1Cl
Show InChI InChI=1S/C25H25Cl3N2O2S/c26-17-3-1-2-4-22(17)33-25-20(31)13-15(14-21(25)32)23-18(27)7-8-19(24(23)28)30-11-9-29(10-12-30)16-5-6-16/h1-4,7-8,15-16,31H,5-6,9-14H2
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n/an/a 230n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089955
PNG
(CHEMBL3581173)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCOCC2)c1Cl
Show InChI InChI=1S/C22H20Cl3NO3S/c23-14-3-1-2-4-19(14)30-22-17(27)11-13(12-18(22)28)20-15(24)5-6-16(21(20)25)26-7-9-29-10-8-26/h1-6,13,27H,7-12H2
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n/an/a 240n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50089918
PNG
(CHEMBL3581059)
Show SMILES CN1Cc2cc(ccc2Oc2ccc(cc12)C(F)(F)F)-c1cccc(n1)[C@H](O)[C@@H](O)C(N)=O
Show InChI InChI=1S/C23H20F3N3O4/c1-29-11-13-9-12(15-3-2-4-16(28-15)20(30)21(31)22(27)32)5-7-18(13)33-19-8-6-14(10-17(19)29)23(24,25)26/h2-10,20-21,30-31H,11H2,1H3,(H2,27,32)/t20-,21+/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50089915
PNG
(CHEMBL3581053)
Show SMILES CC(=O)N1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
Show InChI InChI=1S/C22H18ClN3O2/c1-13(27)26-20-9-7-14(18-3-2-4-19(25-18)22(24)28)11-15(20)5-6-16-12-17(23)8-10-21(16)26/h2-4,7-12H,5-6H2,1H3,(H2,24,28)
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n/an/a 7.62E+3n/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208581
PNG
(CHEMBL3883612)
Show SMILES COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3cccc(OC)c3OC2)[nH]1
Show InChI InChI=1S/C22H21N3O4/c1-27-17-8-6-14(7-9-17)18-11-23-20(25-18)12-24-22(26)16-10-15-4-3-5-19(28-2)21(15)29-13-16/h3-11H,12-13H2,1-2H3,(H,23,25)(H,24,26)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208582
PNG
(CHEMBL3884649)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208582
PNG
(CHEMBL3884649)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 65n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208581
PNG
(CHEMBL3883612)
Show SMILES COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3cccc(OC)c3OC2)[nH]1
Show InChI InChI=1S/C22H21N3O4/c1-27-17-8-6-14(7-9-17)18-11-23-20(25-18)12-24-22(26)16-10-15-4-3-5-19(28-2)21(15)29-13-16/h3-11H,12-13H2,1-2H3,(H,23,25)(H,24,26)
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n/an/a 899n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50089926
PNG
(CHEMBL3581201)
Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl
Show InChI InChI=1S/C22H19Cl2NO4S/c1-11(2)29-18-6-5-15(23)20(21(18)24)13-7-16(27)22(17(28)8-13)30-19-9-14(26)4-3-12(19)10-25/h3-6,9,11,13,26-27H,7-8H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LDH-B (unknown origin)


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089926
PNG
(CHEMBL3581201)
Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl
Show InChI InChI=1S/C22H19Cl2NO4S/c1-11(2)29-18-6-5-15(23)20(21(18)24)13-7-16(27)22(17(28)8-13)30-19-9-14(26)4-3-12(19)10-25/h3-6,9,11,13,26-27H,7-8H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair