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25 similar compounds to monomer 50089935

Compile data set for download or QSAR
Wt: 477.4
BDBM50207181
Wt: 459.4
BDBM50089919
Wt: 484.8
BDBM50089936
Wt: 476.8
BDBM50089945
Wt: 483.8
BDBM50089950
Wt: 539.9
BDBM50089952
Wt: 377.8
BDBM50089921
Wt: 363.8
BDBM50089922
Wt: 561.9
BDBM50089923
Wt: 478.3
BDBM50089925
Wt: 528.8
BDBM50089929
Wt: 561.9
BDBM50089930
Wt: 461.2
BDBM50118956
Wt: 308.3
BDBM50160765
Wt: 400.8
BDBM50191678
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50207181,50089919,50089936,50089945,50089950,50089952,50089921,50089922,50089923,50089925,50089929,50089930,50118956,50160765,50191678   
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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50089925
PNG
(CHEMBL3581202)
Show SMILES COc1ccc(C#N)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1
Show InChI InChI=1S/C23H21Cl2NO4S/c1-12(2)30-19-7-6-16(24)21(22(19)25)14-8-17(27)23(18(28)9-14)31-20-10-15(29-3)5-4-13(20)11-26/h4-7,10,12,14,27H,8-9H2,1-3H3
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n/an/a 2.40E+3n/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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50207181
PNG
(CHEMBL3950927)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C23H19N5O5S/c1-24-34(31,32)19-12-8-17(9-13-19)26-23-25-15-14-20(27-23)16-6-10-18(11-7-16)33-22-5-3-2-4-21(22)28(29)30/h2-15,24H,1H3,(H,25,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin)


Eur J Med Chem 123: 544-556 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089923
PNG
(CHEMBL3581204)
Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1
Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3
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n/an/a 30n/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))
BDBM50089925
PNG
(CHEMBL3581202)
Show SMILES COc1ccc(C#N)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1
Show InChI InChI=1S/C23H21Cl2NO4S/c1-12(2)30-19-7-6-16(24)21(22(19)25)14-8-17(27)23(18(28)9-14)31-20-10-15(29-3)5-4-13(20)11-26/h4-7,10,12,14,27H,8-9H2,1-3H3
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n/an/a 460n/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))
BDBM50089930
PNG
(CHEMBL3581198)
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?/m0/s1
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n/an/a 90n/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))
BDBM50089936
PNG
(CHEMBL3581192)
Show SMILES CN(C)C(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C22H20Cl3NO3S/c1-26(2)20(29)9-12-6-7-14(23)19(8-12)30-22-17(27)10-13(11-18(22)28)21-15(24)4-3-5-16(21)25/h3-8,13,27H,9-11H2,1-2H3
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n/an/a 1.00E+4n/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 B (LDHB)


(Homo sapiens (Human))
BDBM50089929
PNG
(CHEMBL3581205)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1
Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3
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n/an/a 490n/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))
BDBM50089945
PNG
(CHEMBL3581183)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1cccnc1
Show InChI InChI=1S/C23H16Cl3NO2S/c24-16-5-1-2-6-20(16)30-23-18(28)10-14(11-19(23)29)21-17(25)8-7-15(22(21)26)13-4-3-9-27-12-13/h1-9,12,14,28H,10-11H2
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n/an/a 108n/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))
BDBM50089950
PNG
(CHEMBL3581178)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCNCC2)c1Cl
Show InChI InChI=1S/C22H21Cl3N2O2S/c23-14-3-1-2-4-19(14)30-22-17(28)11-13(12-18(22)29)20-15(24)5-6-16(21(20)25)27-9-7-26-8-10-27/h1-6,13,26,28H,7-12H2
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n/an/a 170n/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))
BDBM50089952
PNG
(CHEMBL3581176)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2COC2)c1Cl
Show InChI InChI=1S/C25H25Cl3N2O3S/c26-17-3-1-2-4-22(17)34-25-20(31)11-15(12-21(25)32)23-18(27)5-6-19(24(23)28)30-9-7-29(8-10-30)16-13-33-14-16/h1-6,15-16,31H,7-14H2
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n/an/a 370n/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))
BDBM50089919
PNG
(CHEMBL3581057)
Show SMILES NC(=O)CN1Cc2cc(ccc2Oc2ccc(cc12)C(F)(F)F)-c1cccc(n1)[C@H](O)CO
Show InChI InChI=1S/C23H20F3N3O4/c24-23(25,26)15-5-7-21-18(9-15)29(11-22(27)32)10-14-8-13(4-6-20(14)33-21)16-2-1-3-17(28-16)19(31)12-30/h1-9,19,30-31H,10-12H2,(H2,27,32)/t19-/m1/s1
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n/an/a 1.80E+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))
BDBM50089921
PNG
(CHEMBL3581052)
Show SMILES CCN1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
Show InChI InChI=1S/C22H20ClN3O/c1-2-26-20-10-8-14(18-4-3-5-19(25-18)22(24)27)12-15(20)6-7-16-13-17(23)9-11-21(16)26/h3-5,8-13H,2,6-7H2,1H3,(H2,24,27)
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n/an/a>1.00E+4n/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))
BDBM50089922
PNG
(CHEMBL3581051)
Show SMILES CN1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
Show InChI InChI=1S/C21H18ClN3O/c1-25-19-9-7-13(17-3-2-4-18(24-17)21(23)26)11-14(19)5-6-15-12-16(22)8-10-20(15)25/h2-4,7-12H,5-6H2,1H3,(H2,23,26)
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n/an/a 840n/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
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50089923
PNG
(CHEMBL3581204)
Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1
Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3
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n/an/a 120n/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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50118956
PNG
(CHEMBL3617377)
Show SMILES Ic1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H12IN3O2S/c19-12-5-7-13(8-6-12)20-17(23)22-18-21-14(10-25-18)16-9-11-3-1-2-4-15(11)24-16/h1-10H,(H2,20,21,22,23)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition b...


Eur J Med Chem 102: 80-92 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.005
BindingDB Entry DOI: 10.7270/Q2JM2CFX
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50118956
PNG
(CHEMBL3617377)
Show SMILES Ic1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H12IN3O2S/c19-12-5-7-13(8-6-12)20-17(23)22-18-21-14(10-25-18)16-9-11-3-1-2-4-15(11)24-16/h1-10H,(H2,20,21,22,23)
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n/an/a 4.13E+4n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition ...


Eur J Med Chem 102: 80-92 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.005
BindingDB Entry DOI: 10.7270/Q2JM2CFX
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50160765
PNG
(CHEMBL3787517)
Show SMILES CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H16O4/c1-12-10-18(20)23-17-11-15(8-9-16(12)17)22-13(2)19(21)14-6-4-3-5-7-14/h3-11,13H,1-2H3
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n/an/a 5.09E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Antagonist activity against androgen receptor (unknown origin)


Bioorg Med Chem Lett 26: 2000-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.088
BindingDB Entry DOI: 10.7270/Q2MK6FS1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191678
PNG
(CHEMBL3909782)
Show SMILES Clc1cc2ncc3ncn(-c4ccc(CC#N)cc4)c3c2cc1-c1ccsc1
Show InChI InChI=1S/C22H13ClN4S/c23-19-10-20-18(9-17(19)15-6-8-28-12-15)22-21(11-25-20)26-13-27(22)16-3-1-14(2-4-16)5-7-24/h1-4,6,8-13H,5H2
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n/an/a 800n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00598
BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089929
PNG
(CHEMBL3581205)
Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1
Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3
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n/an/a 30n/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