Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.5 BDBM50063000

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))	BDBM50063000 (CHEMBL3398003) Show SMILES O=C(NC(CCN1CCN(CC1)c1ccc(cc1)C#N)c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C27H34N4O/c28-21-22-11-13-25(14-12-22)31-19-17-30(18-20-31)16-15-26(23-7-3-1-4-8-23)29-27(32)24-9-5-2-6-10-24/h1,3-4,7-8,11-14,24,26H,2,5-6,9-10,15-20H2,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTE...				Bioorg Med Chem 23: 1157-68 (2015) Article DOI: 10.1016/j.bmc.2014.12.052 BindingDB Entry DOI: 10.7270/Q2WH2RN7
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