Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 489.6 BDBM50276577

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))	BDBM50276577 (CHEMBL458157 | N-((1S)-3-(4-(N-ethyl-2-p-tolylacet...) Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(C)cc1 |r| Show InChI InChI=1S/C31H43N3O2/c1-4-34(30(35)22-25-15-13-23(2)14-16-25)28-17-19-33(20-18-28)24(3)21-29(26-9-6-5-7-10-26)32-31(36)27-11-8-12-27/h5-7,9-10,13-16,24,27-29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t24?,29-/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	3.76	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1075-9 (2009) Article DOI: 10.1016/j.bmcl.2009.01.009 BindingDB Entry DOI: 10.7270/Q27M08VH
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