Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 512.0 BDBM50276686

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))	BDBM50276686 (4-chlorophenyl 1-((4S)-4-(cyclobutanecarboxamido)-...) Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H38ClN3O3/c1-3-33(29(35)36-26-14-12-24(30)13-15-26)25-16-18-32(19-17-25)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,25,27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/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	3.40	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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