null
SMILES: Cc1ncc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
InChI Key: InChIKey=KBYWBAQOEXYKQU-UHFFFAOYSA-N
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)) | BDBM488280 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) | 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 TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA; THE UAB RESEARCH FOUNDATION; VANDERBILT UNIVERSITY; NATIONAL INSTITUTES OF HEALTH, UNITED STATES DEPT. OF HEALTH AND HUMAN SERVICES 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 US10954228 (2021) BindingDB Entry DOI: 10.7270/Q29026W9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-lactate dehydrogenase A chain (Homo sapiens (Human)) | BDBM488280 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of GS[HiBiT]GS-tagged LDHA (unknown origin) expressed in HEK-293T cells measured after 1 hr by CESTA | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-lactate dehydrogenase B chain (Homo sapiens (Human)) | BDBM488280 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) | 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/Q2G73JVB | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-lactate dehydrogenase A chain (Homo sapiens (Human)) | BDBM488280 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 434 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of LDHA in human A673 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence based a... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-lactate dehydrogenase A chain (Homo sapiens (Human)) | BDBM488280 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of LDHA in human MIA PaCa-2 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence b... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-lactate dehydrogenase A chain (Homo sapiens (Human)) | BDBM488280 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6 | |||||||||||
More data for this Ligand-Target Pair |