Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.6 BDBM50257727

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))	BDBM50257727 ((Z)-N'-cyano-N-methyl-4-(2-(3-(2-methyl-1H-benzo[d...) Show SMILES CNC(=NC#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,w:3.3,THB:20:18:12:14.15| Show InChI InChI=1S/C31H39N7/c1-23-35-28-10-6-7-11-29(28)38(23)27-20-25-12-13-26(21-27)37(25)19-16-31(24-8-4-3-5-9-24)14-17-36(18-15-31)30(33-2)34-22-32/h3-11,25-27H,12-21H2,1-2H3,(H,33,34)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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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