Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 576.5 BDBM50358622

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))	BDBM50358622 (CHEMBL1921871) Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)N[C@@H]1CCOC1=O |r| Show InChI InChI=1S/C27H35Cl2N7O3/c1-2-19-16-35(25-23(29)32-22(24(30)33-25)26(37)31-21-9-14-39-27(21)38)12-13-36(19)20-7-10-34(11-8-20)15-17-3-5-18(28)6-4-17/h3-6,19-21H,2,7-16H2,1H3,(H2,30,33)(H,31,37)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells				Bioorg Med Chem Lett 21: 6982-6 (2011) Article DOI: 10.1016/j.bmcl.2011.09.120 BindingDB Entry DOI: 10.7270/Q2T72HVN
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