Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.7 BDBM314056

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))	BDBM314056 (US10167299, Example 170) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(OC(C)=O)s1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C29H43N5O3S/c1-18(2)28-32-31-19(3)34(28)24-16-22-10-11-23(17-24)33(22)15-14-25(26-12-13-27(38-26)37-20(4)35)30-29(36)21-8-6-5-7-9-21/h12-13,18,21-25H,5-11,14-17H2,1-4H3,(H,30,36)/t22?,23?,24?,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.38	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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