Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.6 BDBM389761

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))	BDBM389761 (US9951063, 80) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1cccc2CCN(Cc12)C(=O)C1(CC1)c1ccccc1 Show InChI InChI=1S/C32H34N6O2/c1-23-19-35(17-18-38(23)29(39)21-37-22-34-27-10-6-15-33-30(27)37)28-11-5-7-24-12-16-36(20-26(24)28)31(40)32(13-14-32)25-8-3-2-4-9-25/h2-11,15,22-23H,12-14,16-21H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	199	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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