Found 7 hits for monomerid = 489147 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM489147
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; VANDERBILT UNIVERSITY; THE UAB RESEARCH FOUNDATION; THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA
US Patent
| Assay Description Test compounds were placed in a Greiner Bio-One (Monroe, N.C.) 1536-well black solid bottom assay plate. 200 millimolar (mM) Tris HCl, pH 7.4, 100 mi... |
US Patent US10961200 (2021)
BindingDB Entry DOI: 10.7270/Q2474DZ9 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM489147
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98TV |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM489147
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM489147
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase B chain
(Homo sapiens (Human)) | BDBM489147
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM489147
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM489147
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6 |
More data for this Ligand-Target Pair | |