Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 572.5 BDBM389725

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))	BDBM389725 (2-(3-Methyl-pyrazol-1-yl)-1-{(R)-2-methyl-4-[5-tri...) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc(C)n1)c1ccc(c2CCN(Cc12)c1nc(cs1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H26F6N6OS/c1-15-5-8-36(33-15)13-22(38)37-10-9-34(11-16(37)2)20-4-3-19(24(26,27)28)17-6-7-35(12-18(17)20)23-32-21(14-39-23)25(29,30)31/h3-5,8,14,16H,6-7,9-13H2,1-2H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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
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