Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 551.7 BDBM50141851

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))	BDBM50141851 ((3-{4-[5-(4-Cyano-phenyl)-2H-pyrazol-3-yl]-piperid...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)-c2ccc(cc2)C#N)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C34H41N5O2/c35-20-24-11-13-26(14-12-24)31-19-32(37-36-31)27-15-17-38(18-16-27)21-29-22-39(23-30(29)25-7-3-1-4-8-25)33(34(40)41)28-9-5-2-6-10-28/h1,3-4,7-8,11-14,19,27-30,33H,2,5-6,9-10,15-18,21-23H2,(H,36,37)(H,40,41)/t29-,30+,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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
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