Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.1 BDBM50446634

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))	BDBM50446634 (CHEMBL3116493) Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(C)n1 |r| Show InChI InChI=1S/C27H37ClN10O2/c1-5-18-15-37(24-17(4)32-21(13-31-24)25-34-35-27(40-25)30-6-2)16(3)14-38(18)19-9-11-36(12-10-19)26(39)20-7-8-22(28)33-23(20)29/h7-8,13,16,18-19H,5-6,9-12,14-15H2,1-4H3,(H2,29,33)(H,30,35)/t16-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CXCR3 receptor				Bioorg Med Chem Lett 24: 1085-8 (2014) Article DOI: 10.1016/j.bmcl.2014.01.009 BindingDB Entry DOI: 10.7270/Q2BZ67JQ
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