Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 566.4 BDBM610425

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))	BDBM610425 (2-[3-(1-Hydroxy-ethyl)-[1,2,4]triazol-1-yl]-1-{(R)...) Show SMILES CC(O)c1ncn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.30	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))	BDBM610425 (2-[3-(1-Hydroxy-ethyl)-[1,2,4]triazol-1-yl]-1-{(R)...) Show SMILES CC(O)c1ncn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	737	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