Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.6 BDBM314004

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))	BDBM314004 (US10167299, Example 118) Show SMILES CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(C)=O)c1nccs1 |r,TLB:6:7:13.12.14:9.10,THB:15:13:7:9.10| Show InChI InChI=1S/C24H34N6O2S/c1-15-26-22-14-28(17(3)32)9-7-23(22)30(15)20-12-18-4-5-19(13-20)29(18)10-6-21(27-16(2)31)24-25-8-11-33-24/h8,11,18-21H,4-7,9-10,12-14H2,1-3H3,(H,27,31)/t18?,19?,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.9	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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