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7 similar compounds to monomer 50425798

Compile data set for download or QSAR
Wt: 775.1
BDBM50425792
Wt: 748.1
BDBM50425795
Wt: 699.1
BDBM50425796
Wt: 747.1
BDBM50425797
Wt: 700.1
BDBM50425799
Wt: 703.1
BDBM50425793
Wt: 703.1
BDBM50425794

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50425792,50425795,50425796,50425797,50425799,50425793,50425794   
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 A (LDHA)


(Homo sapiens (Human))
BDBM50425797
PNG
(CHEMBL2316885)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H32ClFN4O11S/c1-49-27-10-26(21(34)9-23(27)39-28(42)15-51-29-5-3-17(12-38-29)33(47)48)50-14-25(41)31(44)30(43)24(40)13-36-20-7-18(6-19(35)8-20)22-4-2-16(11-37-22)32(45)46/h2-12,24-25,30-31,36,40-41,43-44H,13-15H2,1H3,(H,39,42)(H,45,46)(H,47,48)/t24-,25-,30-,31-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of LDHA (unknown origin)


Bioorg Med Chem Lett 24: 4915-25 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.041
BindingDB Entry DOI: 10.7270/Q25Q4XV9
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425792
PNG
(CHEMBL2316880)
Show SMILES COC(=O)c1ccc(SCC(=O)Nc2cc(Cl)c(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc3cc(F)cc(c3)-c3ccc(cn3)C(=O)OC)cc2OC)nc1
Show InChI InChI=1S/C35H36ClFN4O11S/c1-49-29-12-28(23(36)11-25(29)41-30(44)17-53-31-7-5-19(14-40-31)35(48)51-3)52-16-27(43)33(46)32(45)26(42)15-38-22-9-20(8-21(37)10-22)24-6-4-18(13-39-24)34(47)50-2/h4-14,26-27,32-33,38,42-43,45-46H,15-17H2,1-3H3,(H,41,44)/t26-,27-,32-,33-/m1/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425793
PNG
(CHEMBL2316881)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccccn2)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-6-5-17(13-37-29)32(44)45)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-4-2-3-7-35-22/h2-13,24-25,30-31,36,39-40,42-43H,14-16H2,1H3,(H,38,41)(H,44,45)/t24-,25-,30-,31-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425794
PNG
(CHEMBL2316883)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccccn1
Show InChI InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-4-2-3-7-35-29)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-6-5-17(13-37-22)32(44)45/h2-13,24-25,30-31,36,39-40,42-43H,14-16H2,1H3,(H,38,41)(H,44,45)/t24-,25-,30-,31-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425795
PNG
(CHEMBL2316882)
Show SMILES COc1cc(OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m0/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425796
PNG
(CHEMBL2316884)
Show SMILES COc1cc(OCCCNC(=O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C32H28ClFN4O9S/c1-45-27-13-26(23(33)12-25(27)38-29(40)17-48-30-6-4-19(15-37-30)32(43)44)46-8-2-7-35-28(39)16-47-22-10-20(9-21(34)11-22)24-5-3-18(14-36-24)31(41)42/h3-6,9-15H,2,7-8,16-17H2,1H3,(H,35,39)(H,38,40)(H,41,42)(H,43,44)
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n/an/a 2.40E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425799
PNG
(CHEMBL2316888)
Show SMILES COc1cc(OCCCOCCCOc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H31ClFN3O9S/c1-44-29-16-28(25(34)15-27(29)38-30(39)19-48-31-7-5-21(18-37-31)33(42)43)47-11-3-9-45-8-2-10-46-24-13-22(12-23(35)14-24)26-6-4-20(17-36-26)32(40)41/h4-7,12-18H,2-3,8-11,19H2,1H3,(H,38,39)(H,40,41)(H,42,43)
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n/an/an/a 850n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LDH-A by surface plasmon resonance analysis


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425799
PNG
(CHEMBL2316888)
Show SMILES COc1cc(OCCCOCCCOc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H31ClFN3O9S/c1-44-29-16-28(25(34)15-27(29)38-30(39)19-48-31-7-5-21(18-37-31)33(42)43)47-11-3-9-45-8-2-10-46-24-13-22(12-23(35)14-24)26-6-4-20(17-36-26)32(40)41/h4-7,12-18H,2-3,8-11,19H2,1H3,(H,38,39)(H,40,41)(H,42,43)
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n/an/a 5.90E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425793
PNG
(CHEMBL2316881)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccccn2)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-6-5-17(13-37-29)32(44)45)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-4-2-3-7-35-22/h2-13,24-25,30-31,36,39-40,42-43H,14-16H2,1H3,(H,38,41)(H,44,45)/t24-,25-,30-,31-/m1/s1
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n/an/an/a 2.95E+3n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LDH-A by surface plasmon resonance analysis


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425794
PNG
(CHEMBL2316883)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccccn1
Show InChI InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-4-2-3-7-35-29)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-6-5-17(13-37-22)32(44)45/h2-13,24-25,30-31,36,39-40,42-43H,14-16H2,1H3,(H,38,41)(H,44,45)/t24-,25-,30-,31-/m1/s1
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n/an/an/a 222n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LDH-A by surface plasmon resonance analysis


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425795
PNG
(CHEMBL2316882)
Show SMILES COc1cc(OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LDH-A by surface plasmon resonance analysis


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425796
PNG
(CHEMBL2316884)
Show SMILES COc1cc(OCCCNC(=O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C32H28ClFN4O9S/c1-45-27-13-26(23(33)12-25(27)38-29(40)17-48-30-6-4-19(15-37-30)32(43)44)46-8-2-7-35-28(39)16-47-22-10-20(9-21(34)11-22)24-5-3-18(14-36-24)31(41)42/h3-6,9-15H,2,7-8,16-17H2,1H3,(H,35,39)(H,38,40)(H,41,42)(H,43,44)
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n/an/an/a 175n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LDH-A by surface plasmon resonance analysis


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425797
PNG
(CHEMBL2316885)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H32ClFN4O11S/c1-49-27-10-26(21(34)9-23(27)39-28(42)15-51-29-5-3-17(12-38-29)33(47)48)50-14-25(41)31(44)30(43)24(40)13-36-20-7-18(6-19(35)8-20)22-4-2-16(11-37-22)32(45)46/h2-12,24-25,30-31,36,40-41,43-44H,13-15H2,1H3,(H,39,42)(H,45,46)(H,47,48)/t24-,25-,30-,31-/m1/s1
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n/an/an/a 19n/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human LDH-A by surface plasmon resonance analysis


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50425797
PNG
(CHEMBL2316885)
Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C33H32ClFN4O11S/c1-49-27-10-26(21(34)9-23(27)39-28(42)15-51-29-5-3-17(12-38-29)33(47)48)50-14-25(41)31(44)30(43)24(40)13-36-20-7-18(6-19(35)8-20)22-4-2-16(11-37-22)32(45)46/h2-12,24-25,30-31,36,40-41,43-44H,13-15H2,1H3,(H,39,42)(H,45,46)(H,47,48)/t24-,25-,30-,31-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LDH-A (unknown origin) by cell based assay


J Med Chem 56: 1023-40 (2013)


Article DOI: 10.1021/jm3014844
BindingDB Entry DOI: 10.7270/Q2QC04TB
More data for this
Ligand-Target Pair