Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 581.1 BDBM50445431

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))	BDBM50445431 (CHEMBL3104691) Show SMILES CCN(CCc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 Show InChI InChI=1S/C33H45ClN4O3/c1-3-36(22-13-27-9-5-4-6-10-27)32(40)28-14-20-35(21-15-28)18-8-19-38(31-12-7-11-30(34)25-31)33(41)29-16-23-37(24-17-29)26(2)39/h4-7,9-12,25,28-29H,3,8,13-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by ...				Eur J Med Chem 71: 259-66 (2014) Article DOI: 10.1016/j.ejmech.2013.11.013 BindingDB Entry DOI: 10.7270/Q29G5P9F
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