Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.5 BDBM50349646

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))	BDBM50349646 (CHEMBL1809005) Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCNC(=O)C1 |r,c:13| Show InChI InChI=1S/C26H25N5O3/c32-23-15-30(10-9-27-23)25(33)17-11-20-19-7-4-8-21-24(19)16(13-28-21)12-22(20)31(14-17)26(34)29-18-5-2-1-3-6-18/h1-8,11,13,17,22,28H,9-10,12,14-15H2,(H,27,32)(H,29,34)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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 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))	BDBM50349646 (CHEMBL1809005) Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCNC(=O)C1 |r,c:13| Show InChI InChI=1S/C26H25N5O3/c32-23-15-30(10-9-27-23)25(33)17-11-20-19-7-4-8-21-24(19)16(13-28-21)12-22(20)31(14-17)26(34)29-18-5-2-1-3-6-18/h1-8,11,13,17,22,28H,9-10,12,14-15H2,(H,27,32)(H,29,34)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	255	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