Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 595.6 BDBM389686

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))	BDBM389686 (US9951063, 5) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1ccc(c2CCN(Cc12)c1nc(cs1)-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C30H32F3N7OS/c1-19-14-20(2)40(36-19)17-28(41)39-13-12-37(15-21(39)3)27-8-7-24(30(31,32)33)22-9-11-38(16-23(22)27)29-35-26(18-42-29)25-6-4-5-10-34-25/h4-8,10,14,18,21H,9,11-13,15-17H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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