Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 572.7 BDBM50321722

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))	BDBM50321722 (CHEMBL1169745 | N-((S)-1-(4-(trifluoromethyl)pheny...) Show SMILES CC(C)N(C(C)=O)c1ccc(cc1)N1CCN(CC[C@H](NC(=O)C2CCCCC2)c2ccc(cc2)C(F)(F)F)CC1 |r| Show InChI InChI=1S/C32H43F3N4O2/c1-23(2)39(24(3)40)29-15-13-28(14-16-29)38-21-19-37(20-22-38)18-17-30(36-31(41)26-7-5-4-6-8-26)25-9-11-27(12-10-25)32(33,34)35/h9-16,23,26,30H,4-8,17-22H2,1-3H3,(H,36,41)/t30-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assay				Eur J Med Chem 45: 2827-40 (2010) Article DOI: 10.1016/j.ejmech.2010.03.003 BindingDB Entry DOI: 10.7270/Q2FB5341
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