Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.6 BDBM50464163

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))	BDBM50464163 (CHEMBL4240475) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1CC)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,TLB:18:17:7.6.8:3.2,THB:9:7:17:3.2| Show InChI InChI=1S/C26H37F2N5OS/c1-3-24-31-30-17(2)33(24)22-14-20-4-5-21(15-22)32(20)12-8-23(19-9-13-35-16-19)29-25(34)18-6-10-26(27,28)11-7-18/h9,13,16,18,20-23H,3-8,10-12,14-15H2,1-2H3,(H,29,34)/t20-,21+,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux p...				J Med Chem 61: 9621-9636 (2018) Article DOI: 10.1021/acs.jmedchem.8b01077 BindingDB Entry DOI: 10.7270/Q2W95CVF
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