Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.6 BDBM50276632

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))	BDBM50276632 (CHEMBL456224 | N-((1S)-3-(4-(N-ethyl-2-(2-methoxyp...) Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccccc1OC |r| Show InChI InChI=1S/C31H43N3O3/c1-4-34(30(35)22-26-13-8-9-16-29(26)37-3)27-17-19-33(20-18-27)23(2)21-28(24-11-6-5-7-12-24)32-31(36)25-14-10-15-25/h5-9,11-13,16,23,25,27-28H,4,10,14-15,17-22H2,1-3H3,(H,32,36)/t23?,28-/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	17.9	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
					More data for this Ligand-Target Pair