Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.6 BDBM50062991

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))	BDBM50062991 (CHEMBL3397988) Show SMILES CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccccc1 Show InChI InChI=1S/C29H39FN4O2/c1-23-21-31(22-25-9-11-27(30)12-10-25)19-20-32(23)15-6-16-34(28-7-4-3-5-8-28)29(36)26-13-17-33(18-14-26)24(2)35/h3-5,7-12,23,26H,6,13-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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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