Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 591.5 BDBM389765

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))	BDBM389765 (US9951063, 84) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1cccc2CCN(Cc12)C(=O)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H32Cl2N6O2/c1-21-17-36(14-15-39(21)30(41)19-38-20-35-27-5-3-12-34-31(27)38)28-6-2-4-23-11-13-37(18-24(23)28)29(40)10-8-22-7-9-25(32)26(33)16-22/h2-7,9,12,16,20-21H,8,10-11,13-15,17-19H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	99.7	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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