Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.6 BDBM313959

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))	BDBM313959 (Compound 7 | US10167299, Example 7) Show SMILES CCCCC(C)C(=O)N[C@@H](CCN1CCC(CC1)n1c(C)nnc1C(C)C)c1cccnc1 |r| Show InChI InChI=1S/C26H42N6O/c1-6-7-9-20(4)26(33)28-24(22-10-8-14-27-18-22)13-17-31-15-11-23(12-16-31)32-21(5)29-30-25(32)19(2)3/h8,10,14,18-20,23-24H,6-7,9,11-13,15-17H2,1-5H3,(H,28,33)/t20?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.2	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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