Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 526.5 BDBM610188

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

Found 2 hits 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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610188 (2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-{(S)-4-[4-(...) Show SMILES CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](CO)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46X2G
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610188 (2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-{(S)-4-[4-(...) Show SMILES CCOc1ncc(cn1)-c1nc(sc1N1CCN([C@H](CO)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46X2G
					More data for this Ligand-Target Pair