Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 530.1 BDBM314016

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))	BDBM314016 (US10167299, Example 130) Show SMILES CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(=O)C1CC1)c1ccc(Cl)s1 |r,TLB:6:7:13.12.14:9.10,THB:15:13:7:9.10| Show InChI InChI=1S/C27H36ClN5O2S/c1-16-29-23-15-31(27(35)18-3-4-18)11-10-24(23)33(16)21-13-19-5-6-20(14-21)32(19)12-9-22(30-17(2)34)25-7-8-26(28)36-25/h7-8,18-22H,3-6,9-15H2,1-2H3,(H,30,34)/t19?,20?,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	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