Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.6 BDBM50334977

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))	BDBM50334977 (CHEMBL1649921 | endo-N-((S)-3-(3-(5-isobutyryl-2-m...) Show SMILES CC(C)C(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 |r,THB:21:20:14.13.19:16.17| Show InChI InChI=1S/C29H41N5O2/c1-19(2)29(36)32-14-12-27-28(18-32)34(20(3)30-27)25-16-23-10-11-24(17-25)33(23)15-13-26(31-21(4)35)22-8-6-5-7-9-22/h5-9,19,23-26H,10-18H2,1-4H3,(H,31,35)/t23-,24+,25+,26-/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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