Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 652.8 BDBM50141965

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))	BDBM50141965 ((2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-phenoxy-benz...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(Oc4ccccc4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C40H49FN4O3/c1-4-28(3)39(40(46)47)44-26-32(37(27-44)31-10-9-11-33(41)23-31)25-43-20-18-30(19-21-43)38-24-34(42-45(38)5-2)22-29-14-16-36(17-15-29)48-35-12-7-6-8-13-35/h6-17,23-24,28,30,32,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,32-,37+,39+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair