Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.6 BDBM314007

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))	BDBM314007 (US10167299, Example 121) Show SMILES CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1nccs1 |r,TLB:23:22:15.21.16:18.19,14:15:22:18.19| Show InChI InChI=1S/C26H38N6O2S/c1-16(2)26(34)30-10-8-24-23(15-30)28-17(3)32(24)21-13-19-5-6-20(14-21)31(19)11-7-22(29-18(4)33)25-27-9-12-35-25/h9,12,16,19-22H,5-8,10-11,13-15H2,1-4H3,(H,29,33)/t19?,20?,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32.3	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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