Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.6 BDBM313985

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))	BDBM313985 (US10167299, Example 35) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(F)nc1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C28H41FN6O/c1-18(2)27-33-32-19(3)35(27)24-15-22-10-11-23(16-24)34(22)14-13-25(21-9-12-26(29)30-17-21)31-28(36)20-7-5-4-6-8-20/h9,12,17-18,20,22-25H,4-8,10-11,13-16H2,1-3H3,(H,31,36)/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	270	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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