null

SMILES: CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O

InChI Key: InChIKey=KWSZFGQAKJYXKP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 489160   

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))	BDBM489160 (2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...) Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)	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)
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489160 (2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...) Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489160 (2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...) Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489160 (2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...) Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)	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
					More data for this Ligand-Target Pair