Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 556.6 BDBM389694

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))	BDBM389694 (US9951063, 13) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1ccc(c2CCN(Cc12)c1cnc(nc1)N(C)C)C(F)(F)F Show InChI InChI=1S/C28H35F3N8O/c1-18-12-19(2)39(34-18)17-26(40)38-11-10-37(15-20(38)3)25-7-6-24(28(29,30)31)22-8-9-36(16-23(22)25)21-13-32-27(33-14-21)35(4)5/h6-7,12-14,20H,8-11,15-17H2,1-5H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.48	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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