Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 626.8 BDBM50141871

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))	BDBM50141871 (CHEMBL368517 | {3-[4-(5-Benzyl-2-ethoxycarbonylmet...) Show SMILES CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 Show InChI InChI=1S/C38H50N4O4/c1-2-46-36(43)27-42-35(23-33(39-42)22-28-12-6-3-7-13-28)30-18-20-40(21-19-30)24-32-25-41(26-34(32)29-14-8-4-9-15-29)37(38(44)45)31-16-10-5-11-17-31/h3-4,6-9,12-15,23,30-32,34,37H,2,5,10-11,16-22,24-27H2,1H3,(H,44,45)/t32-,34+,37+/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human CC chemokine receptor 5				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
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