BDBM50250665 CHEMBL4076264::US10961200, Compound 425

SMILES: OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(F)cc1

InChI Key: InChIKey=DTOIPNVKTYNDGF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50250665   

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))	BDBM50250665 (CHEMBL4076264 | US10961200, Compound 425) Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(F)cc1 Show InChI InChI=1S/C13H8FN3O3S/c14-8-3-1-7(2-4-8)9-5-11(18)17(16-9)13-15-10(6-21-13)12(19)20/h1-6,18H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50250665 (CHEMBL4076264 | US10961200, Compound 425) Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(F)cc1 Show InChI InChI=1S/C13H8FN3O3S/c14-8-3-1-7(2-4-8)9-5-11(18)17(16-9)13-15-10(6-21-13)12(19)20/h1-6,18H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.70E+4	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)
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50250665 (CHEMBL4076264 | US10961200, Compound 425) Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(F)cc1 Show InChI InChI=1S/C13H8FN3O3S/c14-8-3-1-7(2-4-8)9-5-11(18)17(16-9)13-15-10(6-21-13)12(19)20/h1-6,18H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair