Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 511.6 BDBM50464170

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))	BDBM50464170 (CHEMBL4241284) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C(C)(C)C(F)(F)F)c1cccs1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2| Show InChI InChI=1S/C25H36F3N5OS/c1-15(2)22-31-30-16(3)33(22)19-13-17-8-9-18(14-19)32(17)11-10-20(21-7-6-12-35-21)29-23(34)24(4,5)25(26,27)28/h6-7,12,15,17-20H,8-11,13-14H2,1-5H3,(H,29,34)/t17-,18+,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	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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