Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.5 BDBM50349647

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))	BDBM50349647 (CHEMBL1809006) Show SMILES CN1CCN(CC1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:24| Show InChI InChI=1S/C27H29N5O2/c1-30-10-12-31(13-11-30)26(33)19-14-22-21-8-5-9-23-25(21)18(16-28-23)15-24(22)32(17-19)27(34)29-20-6-3-2-4-7-20/h2-9,14,16,19,24,28H,10-13,15,17H2,1H3,(H,29,34)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	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)	BDBM50349647 (CHEMBL1809006) Show SMILES CN1CCN(CC1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:24| Show InChI InChI=1S/C27H29N5O2/c1-30-10-12-31(13-11-30)26(33)19-14-22-21-8-5-9-23-25(21)18(16-28-23)15-24(22)32(17-19)27(34)29-20-6-3-2-4-7-20/h2-9,14,16,19,24,28H,10-13,15,17H2,1H3,(H,29,34)/t19-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	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))	BDBM50349647 (CHEMBL1809006) Show SMILES CN1CCN(CC1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:24| Show InChI InChI=1S/C27H29N5O2/c1-30-10-12-31(13-11-30)26(33)19-14-22-21-8-5-9-23-25(21)18(16-28-23)15-24(22)32(17-19)27(34)29-20-6-3-2-4-7-20/h2-9,14,16,19,24,28H,10-13,15,17H2,1H3,(H,29,34)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	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