Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 599.9 BDBM50488240

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))	BDBM50488240 (CHEMBL2281966) Show SMILES Cc1cc(C)c(NC(=O)NCC2(O)CCC(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 |(48.58,-.19,;48.59,-1.73,;47.25,-2.5,;47.25,-4.03,;45.92,-4.81,;48.57,-4.8,;48.57,-6.34,;47.24,-7.11,;45.91,-6.34,;47.24,-8.65,;48.57,-9.42,;48.57,-10.96,;49.9,-10.18,;49.91,-11.73,;49.91,-13.26,;48.57,-14.03,;48.57,-15.57,;47.24,-16.35,;45.91,-15.59,;44.58,-16.36,;43.25,-15.59,;44.58,-17.9,;45.91,-18.67,;47.25,-17.9,;48.58,-18.67,;48.59,-20.21,;49.92,-20.98,;49.91,-22.51,;51.25,-23.28,;52.58,-22.51,;53.92,-23.27,;52.58,-20.96,;51.24,-20.2,;47.24,-13.28,;47.24,-11.73,;49.92,-4.03,;51.25,-4.8,;49.92,-2.49,)| Show InChI InChI=1S/C31H36BrClN2O3/c1-20-14-21(2)29(22(3)15-20)35-30(36)34-19-31(37)12-10-23(11-13-31)16-25-17-26(32)6-9-28(25)38-18-24-4-7-27(33)8-5-24/h4-9,14-15,17,23,37H,10-13,16,18-19H2,1-3H3,(H2,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
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