Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.7 BDBM50464157

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))	BDBM50464157 (CHEMBL4249241) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)N1CCN(CC1)C(C)=O)c1ccc(C)s1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2| Show InChI InChI=1S/C28H43N7O2S/c1-18(2)27-31-30-20(4)35(27)24-16-22-7-8-23(17-24)34(22)11-10-25(26-9-6-19(3)38-26)29-28(37)33-14-12-32(13-15-33)21(5)36/h6,9,18,22-25H,7-8,10-17H2,1-5H3,(H,29,37)/t22-,23+,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	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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