Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 548.7 BDBM50412763

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))	BDBM50412763 (CHEMBL505556) Show SMILES Cc1nc2ccccc2n1C1CC2COCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |TLB:9:10:13.14.15:18,19:18:13.14.15:17.10.11| Show InChI InChI=1S/C35H40N4O2/c1-26-36-32-14-8-9-15-33(32)39(26)29-22-30-24-41-25-31(23-29)38(30)21-18-35(28-12-6-3-7-13-28)16-19-37(20-17-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
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