Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.7 BDBM50141858

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))	BDBM50141858 (CHEMBL367787 | Cyclohexyl-{3-[4-(4-phenethyl-2H-py...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2[nH]ncc2CCc2ccccc2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C35H46N4O2/c40-35(41)34(29-14-8-3-9-15-29)39-24-31(32(25-39)27-12-6-2-7-13-27)23-38-20-18-28(19-21-38)33-30(22-36-37-33)17-16-26-10-4-1-5-11-26/h1-2,4-7,10-13,22,28-29,31-32,34H,3,8-9,14-21,23-25H2,(H,36,37)(H,40,41)/t31-,32+,34+/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	1.20	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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