Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.9 BDBM309153

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM309153 ( (3R,4S)-N-[4-chloro-3-(propan-2-yl)phenyl]-4-(4-f...) Show SMILES CC(C)c1cc(N[C@H]2CN(C[C@@H]2c2ccc(F)cc2)S(=O)(=O)c2cn(C)cn2)ccc1Cl Show InChI InChI=1S/C23H26ClFN4O2S/c1-15(2)19-10-18(8-9-21(19)24)27-22-12-29(32(30,31)23-13-28(3)14-26-23)11-20(22)16-4-6-17(25)7-5-16/h4-10,13-15,20,22,27H,11-12H2,1-3H3/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG US Patent					Assay Description Radioligand binding assays using recombinant CHO cell membranes expressing human GlyT1: Radioligand binding to human GlyT1c transporter-expressing me...				US Patent US9656955 (2017) BindingDB Entry DOI: 10.7270/Q2Z60R48
					More data for this Ligand-Target Pair