BDBM50252432 CHEMBL4099473

SMILES: CC(C)CN1CC(=Cc2ccccc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1

InChI Key: InChIKey=GFPQVBFMWGEXEV-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252432   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50252432 (CHEMBL4099473) Show SMILES CC(C)CN1CC(=Cc2ccccc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1 |c:6| Show InChI InChI=1S/C28H35N3O3/c1-20(2)17-31-19-23(16-22-6-4-5-7-26(22)28(31)33)27(32)29-24-10-8-21(9-11-24)18-30(3)25-12-14-34-15-13-25/h4-11,16,20,25H,12-15,17-19H2,1-3H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster, Corrensstraße 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells after 40 mins by scintillation counting analysis				Eur J Med Chem 135: 401-413 (2017) Article DOI: 10.1016/j.ejmech.2017.04.046 BindingDB Entry DOI: 10.7270/Q2Z60RH6
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