Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.6 BDBM314001

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))	BDBM314001 (US10167299, Example 115) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1nccs1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C26H38F2N6OS/c1-16(2)23-32-31-17(3)34(23)21-14-19-4-5-20(15-21)33(19)12-8-22(25-29-11-13-36-25)30-24(35)18-6-9-26(27,28)10-7-18/h11,13,16,18-22H,4-10,12,14-15H2,1-3H3,(H,30,35)/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	10.3	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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