Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.6 BDBM389814

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))	BDBM389814 (US9951063, 133) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1ccc(F)c2CCN(Cc12)c1cnc(nc1)C1CC1 Show InChI InChI=1S/C27H33FN8O/c1-17-14-34(10-11-35(17)26(37)16-36-19(3)31-18(2)32-36)25-7-6-24(28)22-8-9-33(15-23(22)25)21-12-29-27(30-13-21)20-4-5-20/h6-7,12-13,17,20H,4-5,8-11,14-16H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.42	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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