Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.5 BDBM50349681

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

Found 3 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))	BDBM50349681 (CHEMBL1809019) Show SMILES COc1cccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)c1 |r,c:13| Show InChI InChI=1S/C27H28N4O3/c1-34-20-7-4-6-19(14-20)29-27(33)31-16-18(26(32)30-10-2-3-11-30)12-22-21-8-5-9-23-25(21)17(15-28-23)13-24(22)31/h4-9,12,14-15,18,24,28H,2-3,10-11,13,16H2,1H3,(H,29,33)/t18-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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 (Mus musculus)	BDBM50349681 (CHEMBL1809019) Show SMILES COc1cccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)c1 |r,c:13| Show InChI InChI=1S/C27H28N4O3/c1-34-20-7-4-6-19(14-20)29-27(33)31-16-18(26(32)30-10-2-3-11-30)12-22-21-8-5-9-23-25(21)17(15-28-23)13-24(22)31/h4-9,12,14-15,18,24,28H,2-3,10-11,13,16H2,1H3,(H,29,33)/t18-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	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 mouse 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))	BDBM50349681 (CHEMBL1809019) Show SMILES COc1cccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)c1 |r,c:13| Show InChI InChI=1S/C27H28N4O3/c1-34-20-7-4-6-19(14-20)29-27(33)31-16-18(26(32)30-10-2-3-11-30)12-22-21-8-5-9-23-25(21)17(15-28-23)13-24(22)31/h4-9,12,14-15,18,24,28H,2-3,10-11,13,16H2,1H3,(H,29,33)/t18-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	278	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