Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.6 BDBM389807

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))	BDBM389807 (US9951063, 126) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1cccc2CCN(Cc12)c1cnc(nc1)C1CC1 Show InChI InChI=1S/C27H34N8O/c1-18-15-33(11-12-34(18)26(36)17-35-20(3)30-19(2)31-35)25-6-4-5-21-9-10-32(16-24(21)25)23-13-28-27(29-14-23)22-7-8-22/h4-6,13-14,18,22H,7-12,15-17H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	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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