Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.6 BDBM313975

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))	BDBM313975 (US10167299, Example 25) Show SMILES CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCCC2)c2ccsc2)CC1 |r| Show InChI InChI=1S/C24H37N5OS/c1-17(2)23-27-26-18(3)29(23)21-8-12-28(13-9-21)14-10-22(20-11-15-31-16-20)25-24(30)19-6-4-5-7-19/h11,15-17,19,21-22H,4-10,12-14H2,1-3H3,(H,25,30)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.9	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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