Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.6 BDBM314040

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))	BDBM314040 (US10167299, Example 154) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1ccc(CO)s1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C24H35N9O2S/c1-15(2)24-29-28-16(3)33(24)19-10-17-4-5-18(11-19)31(17)9-8-21(22-7-6-20(13-34)36-22)27-23(35)12-32-26-14-25-30-32/h6-7,14-15,17-19,21,34H,4-5,8-13H2,1-3H3,(H,27,35)/t17?,18?,19?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.1	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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