Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.5 BDBM389729

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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM389729 (1-{(R)-4-[2-(2-Cyclopropyl-pyrimidin-5-yl)-5-trifl...) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc(C)n1)c1ccc(c2CCN(Cc12)c1cnc(nc1)C1CC1)C(F)(F)F Show InChI InChI=1S/C28H32F3N7O/c1-18-7-10-37(34-18)17-26(39)38-12-11-36(15-19(38)2)25-6-5-24(28(29,30)31)22-8-9-35(16-23(22)25)21-13-32-27(33-14-21)20-3-4-20/h5-7,10,13-14,19-20H,3-4,8-9,11-12,15-17H2,1-2H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA					Assay Description The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...				Bioorg Med Chem Lett 17: 3473-9 (2007) BindingDB Entry DOI: 10.7270/Q20R9RRK
					More data for this Ligand-Target Pair