Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.4 BDBM50337213

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))	BDBM50337213 (5-chloro-6-((3S)-4-(1-(5-chloro-2,3-dihydro-1H-ind...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(CC2)C2CCc3cc(Cl)ccc23)c(Cl)c1 |r| Show InChI InChI=1S/C26H33Cl2N5O/c1-17-16-32(25-23(28)14-19(15-30-25)26(34)29-2)11-12-33(17)21-7-9-31(10-8-21)24-6-3-18-13-20(27)4-5-22(18)24/h4-5,13-15,17,21,24H,3,6-12,16H2,1-2H3,(H,29,34)/t17-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3				Bioorg Med Chem Lett 21: 1527-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50337213 (5-chloro-6-((3S)-4-(1-(5-chloro-2,3-dihydro-1H-ind...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(CC2)C2CCc3cc(Cl)ccc23)c(Cl)c1 |r| Show InChI InChI=1S/C26H33Cl2N5O/c1-17-16-32(25-23(28)14-19(15-30-25)26(34)29-2)11-12-33(17)21-7-9-31(10-8-21)24-6-3-18-13-20(27)4-5-22(18)24/h4-5,13-15,17,21,24H,3,6-12,16H2,1-2H3,(H,29,34)/t17-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3				Bioorg Med Chem Lett 21: 1527-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ
					More data for this Ligand-Target Pair