Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 567.6 BDBM50106955

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))	BDBM50106955 (Allyl-[1-(4-indazol-2-yl-3-phenyl-butyl)-piperidin...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cc4ccccc4n3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C33H37N5O4/c1-2-19-37(33(39)42-25-26-12-14-31(15-13-26)38(40)41)30-17-21-35(22-18-30)20-16-28(27-8-4-3-5-9-27)23-36-24-29-10-6-7-11-32(29)34-36/h2-15,24,28,30H,1,16-23,25H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...				Bioorg Med Chem Lett 11: 3103-6 (2001) BindingDB Entry DOI: 10.7270/Q2FT8K91
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