Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 576.6 BDBM389728

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))	BDBM389728 (1-{(R)-4-[2-(2-Cyclopropyl-pyrimidin-5-yl)-5-trifl...) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ncc2cccnc12)c1ccc(c2CCN(Cc12)c1cnc(nc1)C1CC1)C(F)(F)F Show InChI InChI=1S/C30H31F3N8O/c1-19-16-39(11-12-40(19)27(42)18-41-29-21(13-37-41)3-2-9-34-29)26-7-6-25(30(31,32)33)23-8-10-38(17-24(23)26)22-14-35-28(36-15-22)20-4-5-20/h2-3,6-7,9,13-15,19-20H,4-5,8,10-12,16-18H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.27	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