Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.6 BDBM313957

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))	BDBM313957 (Compound 5 | US10167299, Example 5) Show SMILES CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2cccnc2)CC1 |r| Show InChI InChI=1S/C26H38F2N6O/c1-18(2)24-32-31-19(3)34(24)22-8-14-33(15-9-22)16-10-23(21-5-4-13-29-17-21)30-25(35)20-6-11-26(27,28)12-7-20/h4-5,13,17-18,20,22-23H,6-12,14-16H2,1-3H3,(H,30,35)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.7	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
					More data for this Ligand-Target Pair