Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 758.9 BDBM50159707

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))	BDBM50159707 (CHEMBL3786152) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H54N4O6/c1-46(2,3)56-45(55)49-39(43(53)48-31-38(33-18-7-4-8-19-33)34-20-9-5-10-21-34)26-15-16-29-47-44(54)40-30-36-24-13-14-25-37(36)32-50(40)42(52)28-17-27-41(51)35-22-11-6-12-23-35/h4-14,18-25,38-40H,15-17,26-32H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	166	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...				J Med Chem 59: 2222-43 (2016) Article DOI: 10.1021/acs.jmedchem.5b01965 BindingDB Entry DOI: 10.7270/Q2T72KBR
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50159707 (CHEMBL3786152) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H54N4O6/c1-46(2,3)56-45(55)49-39(43(53)48-31-38(33-18-7-4-8-19-33)34-20-9-5-10-21-34)26-15-16-29-47-44(54)40-30-36-24-13-14-25-37(36)32-50(40)42(52)28-17-27-41(51)35-22-11-6-12-23-35/h4-14,18-25,38-40H,15-17,26-32H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	145	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...				J Med Chem 59: 2222-43 (2016) Article DOI: 10.1021/acs.jmedchem.5b01965 BindingDB Entry DOI: 10.7270/Q2T72KBR
					More data for this Ligand-Target Pair