Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 595.5 BDBM50197995

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))	BDBM50197995 ((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H32Cl2N6O3/c1-41-29(40)26(9-5-13-35-30(33)34)36-28(39)10-4-8-24-18-27(21-14-22(31)17-23(32)15-21)37-38(24)25-12-11-19-6-2-3-7-20(19)16-25/h2-3,6-7,11-12,14-18,26H,4-5,8-10,13H2,1H3,(H,36,39)(H4,33,34,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CCR5				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197995 ((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H32Cl2N6O3/c1-41-29(40)26(9-5-13-35-30(33)34)36-28(39)10-4-8-24-18-27(21-14-22(31)17-23(32)15-21)37-38(24)25-12-11-19-6-2-3-7-20(19)16-25/h2-3,6-7,11-12,14-18,26H,4-5,8-10,13H2,1H3,(H,36,39)(H4,33,34,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197995 ((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H32Cl2N6O3/c1-41-29(40)26(9-5-13-35-30(33)34)36-28(39)10-4-8-24-18-27(21-14-22(31)17-23(32)15-21)37-38(24)25-12-11-19-6-2-3-7-20(19)16-25/h2-3,6-7,11-12,14-18,26H,4-5,8-10,13H2,1H3,(H,36,39)(H4,33,34,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair