Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.6 BDBM313965

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))	BDBM313965 (US10167299, Example 15) Show SMILES CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccs2)CC1 |r| Show InChI InChI=1S/C25H39N5OS/c1-18(2)24-28-27-19(3)30(24)21-11-14-29(15-12-21)16-13-22(23-10-7-17-32-23)26-25(31)20-8-5-4-6-9-20/h7,10,17-18,20-22H,4-6,8-9,11-16H2,1-3H3,(H,26,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.22	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ...				US Patent US10167299 (2019) BindingDB Entry DOI: 10.7270/Q2V126X2
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