Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 584.7 BDBM50159703

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))	BDBM50159703 (CHEMBL3787404) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)43-34(42)39-30(20-12-13-21-36-33(41)31-22-27-18-10-11-19-28(27)23-37-31)32(40)38-24-29(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,14-19,29-31,37H,12-13,20-24H2,1-3H3,(H,36,41)(H,38,40)(H,39,42)/t30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	194	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))	BDBM50159703 (CHEMBL3787404) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)43-34(42)39-30(20-12-13-21-36-33(41)31-22-27-18-10-11-19-28(27)23-37-31)32(40)38-24-29(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,14-19,29-31,37H,12-13,20-24H2,1-3H3,(H,36,41)(H,38,40)(H,39,42)/t30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	316	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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50159703 (CHEMBL3787404) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)43-34(42)39-30(20-12-13-21-36-33(41)31-22-27-18-10-11-19-28(27)23-37-31)32(40)38-24-29(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-11,14-19,29-31,37H,12-13,20-24H2,1-3H3,(H,36,41)(H,38,40)(H,39,42)/t30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	195	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