Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.5 BDBM50349684

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))	BDBM50349684 (CHEMBL1809027) Show SMILES O=C(NC1CCCC1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C25H30N4O2/c30-24(28-10-3-4-11-28)17-12-20-19-8-5-9-21-23(19)16(14-26-21)13-22(20)29(15-17)25(31)27-18-6-1-2-7-18/h5,8-9,12,14,17-18,22,26H,1-4,6-7,10-11,13,15H2,(H,27,31)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	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)	BDBM50349684 (CHEMBL1809027) Show SMILES O=C(NC1CCCC1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C25H30N4O2/c30-24(28-10-3-4-11-28)17-12-20-19-8-5-9-21-23(19)16(14-26-21)13-22(20)29(15-17)25(31)27-18-6-1-2-7-18/h5,8-9,12,14,17-18,22,26H,1-4,6-7,10-11,13,15H2,(H,27,31)/t17-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	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))	BDBM50349684 (CHEMBL1809027) Show SMILES O=C(NC1CCCC1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C25H30N4O2/c30-24(28-10-3-4-11-28)17-12-20-19-8-5-9-21-23(19)16(14-26-21)13-22(20)29(15-17)25(31)27-18-6-1-2-7-18/h5,8-9,12,14,17-18,22,26H,1-4,6-7,10-11,13,15H2,(H,27,31)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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