Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 503.6 BDBM314019

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))	BDBM314019 (US10167299, Example 133) Show SMILES COC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1 |r,TLB:22:21:14.20.15:17.18,13:14:21:17.18| Show InChI InChI=1S/C25H34FN5O3S/c1-15-27-21-14-29(25(33)34-3)10-9-22(21)31(15)19-12-17-4-5-18(13-19)30(17)11-8-20(28-16(2)32)23-6-7-24(26)35-23/h6-7,17-20H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,18?,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.79	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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