Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.6 BDBM50165094

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-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50165094 ((R)-2-((3S,4S)-3-((4-(1H-benzo[d]imidazol-1-yl)pip...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ccccc23)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C31H40N4O2/c36-31(37)30(24-11-5-2-6-12-24)34-20-25(27(21-34)23-9-3-1-4-10-23)19-33-17-15-26(16-18-33)35-22-32-28-13-7-8-14-29(28)35/h1,3-4,7-10,13-14,22,24-27,30H,2,5-6,11-12,15-21H2,(H,36,37)/t25-,27+,30+/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells				Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50165094 ((R)-2-((3S,4S)-3-((4-(1H-benzo[d]imidazol-1-yl)pip...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ccccc23)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C31H40N4O2/c36-31(37)30(24-11-5-2-6-12-24)34-20-25(27(21-34)23-9-3-1-4-10-23)19-33-17-15-26(16-18-33)35-22-32-28-13-7-8-14-29(28)35/h1,3-4,7-10,13-14,22,24-27,30H,2,5-6,11-12,15-21H2,(H,36,37)/t25-,27+,30+/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed on CHO cell membranes				Bioorg Med Chem Lett 15: 2129-34 (2005) Article DOI: 10.1016/j.bmcl.2005.02.030 BindingDB Entry DOI: 10.7270/Q21C1WD7
					More data for this Ligand-Target Pair