Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 596.8 BDBM50249201

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))	BDBM50249201 ((R)-2-cyclohexyl-2-((3S,4S)-3-((4-(1-ethyl-3-(2-ph...) Show SMILES CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)C(C)(C)c1ccccc1 |r| Show InChI InChI=1S/C38H52N4O2/c1-4-42-34(24-35(39-42)38(2,3)32-18-12-7-13-19-32)29-20-22-40(23-21-29)25-31-26-41(27-33(31)28-14-8-5-9-15-28)36(37(43)44)30-16-10-6-11-17-30/h5,7-9,12-15,18-19,24,29-31,33,36H,4,6,10-11,16-17,20-23,25-27H2,1-3H3,(H,43,44)/t31-,33+,36+/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	6.90	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