Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.6 BDBM50322261

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))	BDBM50322261 ((3S)-1-Butyl-3-neopentyl-9-(4-phenoxybenzyl)-1,4,9...) Show SMILES CCCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 |r| Show InChI InChI=1S/C30H41N3O3/c1-5-6-18-33-27(34)26(21-29(2,3)4)31-28(35)30(33)16-19-32(20-17-30)22-23-12-14-25(15-13-23)36-24-10-8-7-9-11-24/h7-15,26H,5-6,16-22H2,1-4H3,(H,31,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization				Bioorg Med Chem 18: 5208-23 (2010) Article DOI: 10.1016/j.bmc.2010.05.057 BindingDB Entry DOI: 10.7270/Q25H7H7B
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