Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 623.0 BDBM50446633

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))	BDBM50446633 (CHEMBL3116494) Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C27H34ClF3N10O2/c1-4-16-14-40(23-21(27(29,30)31)35-19(12-34-23)24-37-38-26(43-24)33-5-2)15(3)13-41(16)17-8-10-39(11-9-17)25(42)18-6-7-20(28)36-22(18)32/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3,(H2,32,36)(H,33,38)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	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
					More data for this Ligand-Target Pair