Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.6 BDBM50318443

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))	BDBM50318443 (CHEMBL1098151 | N-((S)-3-((3aR,6aS)-5-(2,6-dimethy...) Show SMILES Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H37N3O3/c1-20-7-6-8-21(2)27(20)29(34)32-17-24-15-31(16-25(24)18-32)13-11-26(22-9-4-3-5-10-22)30-28(33)23-12-14-35-19-23/h3-10,23-26H,11-19H2,1-2H3,(H,30,33)/t23?,24-,25+,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay				Bioorg Med Chem Lett 20: 3116-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.095 BindingDB Entry DOI: 10.7270/Q27S7PQ2
					More data for this Ligand-Target Pair