Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 592.1 BDBM50445442

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))	BDBM50445442 (CHEMBL3104680) Show SMILES CCN(Cc1ccc(cc1)C#N)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 Show InChI InChI=1S/C33H42ClN5O3/c1-3-37(24-27-10-8-26(23-35)9-11-27)32(41)28-12-18-36(19-13-28)16-5-17-39(31-7-4-6-30(34)22-31)33(42)29-14-20-38(21-15-29)25(2)40/h4,6-11,22,28-29H,3,5,12-21,24H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	473	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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