Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 645.7 BDBM50104263

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))	BDBM50104263 (CHEMBL311052 | {1-[(S)-4-(Benzenesulfonyl-methyl-a...) Show SMILES CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C34H42F3N3O4S/c1-3-21-40(33(41)44-26-27-14-16-30(17-15-27)34(35,36)37)31-19-23-39(24-20-31)22-18-29(28-10-6-4-7-11-28)25-38(2)45(42,43)32-12-8-5-9-13-32/h4-17,29,31H,3,18-26H2,1-2H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells				Bioorg Med Chem Lett 11: 2475-9 (2001) BindingDB Entry DOI: 10.7270/Q2319V4F
					More data for this Ligand-Target Pair