Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 542.7 BDBM50141885

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))	BDBM50141885 (2-{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperid...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC(C)C)C(O)=O)CC1 Show InChI InChI=1S/C34H46N4O2/c1-4-38-32(21-30(35-38)20-26-11-7-5-8-12-26)28-15-17-36(18-16-28)22-29-23-37(33(34(39)40)19-25(2)3)24-31(29)27-13-9-6-10-14-27/h5-14,21,25,28-29,31,33H,4,15-20,22-24H2,1-3H3,(H,39,40)/t29-,31+,33+/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of compound to displace [125I]-MIP-1 alpha from CX3C chemokine receptor 5				Bioorg Med Chem Lett 14: 941-5 (2004) Article DOI: 10.1016/j.bmcl.2003.12.005 BindingDB Entry DOI: 10.7270/Q2JS9PVD
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