Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.5 BDBM50457458

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))	BDBM50457458 (CHEMBL4211358) Show SMILES Cc1nc2cnccc2n1C1CCN(CCC2(CCCN(C2)C(=O)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C33H37Cl2N5O/c1-24-37-30-22-36-15-10-31(30)40(24)27-11-17-38(18-12-27)19-14-33(26-8-9-28(34)29(35)21-26)13-5-16-39(23-33)32(41)20-25-6-3-2-4-7-25/h2-4,6-10,15,21-22,27H,5,11-14,16-20,23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin)				J Med Chem 61: 6421-6467 (2018) Article DOI: 10.1021/acs.jmedchem.8b00180 BindingDB Entry DOI: 10.7270/Q2DJ5J62
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