null

SMILES: Cc1nc(NCc2cc3cc(Cl)c(OCCN4CCN(CC4)S(C)(=O)=O)cc3[nH]c2=O)ccc1C#N

InChI Key: InChIKey=PKIRZPJXKJUCFZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 375225   

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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM375225 (6-[({6-chloro-7-[2-(4- | US10253015, Compound I-85) Show SMILES Cc1nc(NCc2cc3cc(Cl)c(OCCN4CCN(CC4)S(C)(=O)=O)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H27ClN6O4S/c1-16-17(14-26)3-4-23(28-16)27-15-19-11-18-12-20(25)22(13-21(18)29-24(19)32)35-10-9-30-5-7-31(8-6-30)36(2,33)34/h3-4,11-13H,5-10,15H2,1-2H3,(H,27,28)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375225 (6-[({6-chloro-7-[2-(4- | US10253015, Compound I-85) Show SMILES Cc1nc(NCc2cc3cc(Cl)c(OCCN4CCN(CC4)S(C)(=O)=O)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H27ClN6O4S/c1-16-17(14-26)3-4-23(28-16)27-15-19-11-18-12-20(25)22(13-21(18)29-24(19)32)35-10-9-30-5-7-31(8-6-30)36(2,33)34/h3-4,11-13H,5-10,15H2,1-2H3,(H,27,28)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair