Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 580.7 BDBM50321699

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))	BDBM50321699 (1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-...) Show SMILES O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(F)cc1F)C(=O)C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C33H42F2N4O3/c1-2-16-39(32(41)36-20-25-12-13-28(34)19-30(25)35)29-14-17-37(18-15-29)21-27-22-38(31(40)24-8-6-7-9-24)23-33(27,42)26-10-4-3-5-11-26/h2-5,10-13,19,24,27,29,42H,1,6-9,14-18,20-23H2,(H,36,41)/t27-,33-/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 4012-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.102 BindingDB Entry DOI: 10.7270/Q2H132Z4
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