Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.7 BDBM50257694

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))	BDBM50257694 ((E)-isopropyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d...) Show SMILES CC(C)S\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:22:20:14:16.17| Show InChI InChI=1S/C33H42N6S/c1-24(2)40-32(35-23-34)37-18-15-33(16-19-37,26-9-5-4-6-10-26)17-20-38-27-13-14-28(38)22-29(21-27)39-25(3)36-30-11-7-8-12-31(30)39/h4-12,24,27-29H,13-22H2,1-3H3/b35-32+/t27-,28+,29+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane				Bioorg Med Chem Lett 19: 1610-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.014 BindingDB Entry DOI: 10.7270/Q2VQ32JR
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