Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.6 BDBM50276685

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))	BDBM50276685 (CHEMBL461689 | benzyl 1-((4S)-4-(cyclobutanecarbox...) Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H41N3O3/c1-3-33(30(35)36-22-24-11-6-4-7-12-24)27-17-19-32(20-18-27)23(2)21-28(25-13-8-5-9-14-25)31-29(34)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,34)/t23?,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16	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