Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.5 BDBM50349658

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))	BDBM50349658 (CHEMBL1809018) Show SMILES COc1ccccc1NC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:15| Show InChI InChI=1S/C27H28N4O3/c1-34-24-10-3-2-8-21(24)29-27(33)31-16-18(26(32)30-11-4-5-12-30)13-20-19-7-6-9-22-25(19)17(15-28-22)14-23(20)31/h2-3,6-10,13,15,18,23,28H,4-5,11-12,14,16H2,1H3,(H,29,33)/t18-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 4745-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50349658 (CHEMBL1809018) Show SMILES COc1ccccc1NC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:15| Show InChI InChI=1S/C27H28N4O3/c1-34-24-10-3-2-8-21(24)29-27(33)31-16-18(26(32)30-11-4-5-12-30)13-20-19-7-6-9-22-25(19)17(15-28-22)14-23(20)31/h2-3,6-10,13,15,18,23,28H,4-5,11-12,14,16H2,1H3,(H,29,33)/t18-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay				Bioorg Med Chem Lett 21: 4745-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5
					More data for this Ligand-Target Pair