Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 576.7 BDBM314026

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))	BDBM314026 (US10167299, Example 140) Show SMILES CNC(=O)c1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1 |r,TLB:20:18:12:14.15| Show InChI InChI=1S/C29H42F2N6O2S/c1-17(2)26-35-34-18(3)37(26)22-15-20-5-6-21(16-22)36(20)14-11-23(24-7-8-25(40-24)28(39)32-4)33-27(38)19-9-12-29(30,31)13-10-19/h7-8,17,19-23H,5-6,9-16H2,1-4H3,(H,32,39)(H,33,38)/t20?,21?,22?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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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