Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.2 BDBM50197749

Wt: 351.2 BDBM50197787

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-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197787 ((2E)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 231-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.052 BindingDB Entry DOI: 10.7270/Q2FQ9W8N
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197787 ((2E)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50197749 ((2Z)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cc(Cl)ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5/CD4 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 231-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.052 BindingDB Entry DOI: 10.7270/Q2FQ9W8N
					More data for this Ligand-Target Pair