Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.4 BDBM50399995

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))	BDBM50399995 (CHEMBL2181460) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1c(Cl)cccc1Cl)=CC2 |r,c:28| Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-13-12-19(21(25)14-20)16-28(3,4)15-17-8-10-18(11-9-17)24-22(26)6-5-7-23(24)27/h5-12,20-21H,13-16H2,1-4H3/q+1/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399995 (CHEMBL2181460) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1c(Cl)cccc1Cl)=CC2 |r,c:28| Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-13-12-19(21(25)14-20)16-28(3,4)15-17-8-10-18(11-9-17)24-22(26)6-5-7-23(24)27/h5-12,20-21H,13-16H2,1-4H3/q+1/t20-,21-/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	2.00E+3	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair