Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 568.7 BDBM50141852

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))	BDBM50141852 (CHEMBL173609 | {3-[4-(5-Benzyl-3-ethyl-pyrazol-1-y...) Show SMILES CCc1cc(Cc2ccccc2)n(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 Show InChI InChI=1S/C36H48N4O2/c1-2-31-23-33(22-27-12-6-3-7-13-27)40(37-31)32-18-20-38(21-19-32)24-30-25-39(26-34(30)28-14-8-4-9-15-28)35(36(41)42)29-16-10-5-11-17-29/h3-4,6-9,12-15,23,29-30,32,34-35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t30-,34+,35+/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	78	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human Chemokine receptor 5 when co-administered with compound 8f				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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