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13 similar compounds to monomer 50089945

Compile data set for download or QSAR
Wt: 500.8
BDBM50089935
Wt: 484.8
BDBM50089936
Wt: 483.8
BDBM50089950
Wt: 539.9
BDBM50089952
Wt: 400.5
BDBM50089956
Wt: 377.8
BDBM50089921
Wt: 561.9
BDBM50089923
Wt: 478.3
BDBM50089925
Wt: 528.8
BDBM50089929
Wt: 461.2
BDBM50118956
Wt: 580.6
BDBM50198648
Wt: 405.8
BDBM50208584
Wt: 344.3
BDBM50198664

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50089935,50089936,50089950,50089952,50089956,50089921,50089923,50089925,50089929,50118956,50198648,50208584,50198664   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50089956
PNG
(CHEMBL3581228)
Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3
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52n/an/an/an/an/an/an/an/a



Ipsen Innovation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay


Bioorg Med Chem Lett 25: 88-91 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.003
BindingDB Entry DOI: 10.7270/Q2736SN4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50089956
PNG
(CHEMBL3581228)
Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3
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817n/an/an/an/an/an/an/an/a



Ipsen Innovation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay


Bioorg Med Chem Lett 25: 88-91 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.003
BindingDB Entry DOI: 10.7270/Q2736SN4
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))
BDBM50089935
PNG
(CHEMBL3581193)
Show SMILES OCCNC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C22H20Cl3NO4S/c23-14-5-4-12(9-20(30)26-6-7-27)8-19(14)31-22-17(28)10-13(11-18(22)29)21-15(24)2-1-3-16(21)25/h1-5,8,13,27-28H,6-7,9-11H2,(H,26,30)
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n/an/a 300n/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))
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50089956
PNG
(CHEMBL3581228)
Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3
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n/an/an/an/a 44n/an/an/an/a



Ipsen Innovation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 25: 88-91 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.003
BindingDB Entry DOI: 10.7270/Q2736SN4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50089956
PNG
(CHEMBL3581228)
Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Ipsen Innovation

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 25: 88-91 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.003
BindingDB Entry DOI: 10.7270/Q2736SN4
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
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50198648
PNG
(CHEMBL3935430)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O)-n1cccc1CN1CCOCC1
Show InChI InChI=1S/C33H36N6O4/c1-42-28-13-11-26(12-14-28)39-31-29(32(34-39)37-17-4-5-27(37)23-35-19-21-43-22-20-35)15-18-38(33(31)41)25-9-7-24(8-10-25)36-16-3-2-6-30(36)40/h4-5,7-14,17H,2-3,6,15-16,18-23H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a assessed as reduction in p-nitroaniline cleavage from pefachrome substrate preincubated for 10 mins follow...


Bioorg Med Chem 24: 5646-5661 (2016)


Article DOI: 10.1016/j.bmc.2016.09.024
BindingDB Entry DOI: 10.7270/Q2VX0JGK
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198664
PNG
(CHEMBL3954803)
Show SMILES Fc1ccc(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)cc1
Show InChI InChI=1S/C21H13FN2O2/c22-17-5-1-14(2-6-17)13-24-18(12-23)7-8-19(24)15-3-9-20-16(11-15)4-10-21(25)26-20/h1-11H,13H2
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n/an/a 210n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208584
PNG
(CHEMBL3884168)
Show SMILES Clc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C23H20ClN3O2/c24-18-9-7-15(8-10-18)19-13-25-22(26-19)20-5-3-11-27(20)23(28)17-12-16-4-1-2-6-21(16)29-14-17/h1-2,4,6-10,12-13,20H,3,5,11,14H2,(H,25,26)/t20-/m0/s1
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n/an/a 337n/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)
BDBM50208584
PNG
(CHEMBL3884168)
Show SMILES Clc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C23H20ClN3O2/c24-18-9-7-15(8-10-18)19-13-25-22(26-19)20-5-3-11-27(20)23(28)17-12-16-4-1-2-6-21(16)29-14-17/h1-2,4,6-10,12-13,20H,3,5,11,14H2,(H,25,26)/t20-/m0/s1
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n/an/a 3.88E+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
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
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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