Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 477.6 BDBM50334979

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))	BDBM50334979 (CHEMBL1649920 | endo-N-((S)-3-(3-(2-methyl-5-propi...) Show SMILES CCC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 |r,THB:20:19:13.12.18:15.16| Show InChI InChI=1S/C28H39N5O2/c1-4-28(35)31-14-12-26-27(18-31)33(19(2)29-26)24-16-22-10-11-23(17-24)32(22)15-13-25(30-20(3)34)21-8-6-5-7-9-21/h5-9,22-25H,4,10-18H2,1-3H3,(H,30,34)/t22-,23+,24+,25-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-ta...				J Med Chem 54: 67-77 (2011) Article DOI: 10.1021/jm100978n BindingDB Entry DOI: 10.7270/Q2RV0PNV
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