BDBM50252443 CHEMBL4081457

SMILES: CC(C)CN1CC(=Cc2ccccc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=NDTMOVCEXNAAHL-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 = 50252443   

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))	BDBM50252443 (CHEMBL4081457) Show SMILES CC(C)CN1CC(=Cc2ccccc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |c:6| Show InChI InChI=1S/C24H24N4O4S2/c1-16(2)14-28-15-18(13-17-5-3-4-6-21(17)23(28)30)22(29)26-19-7-9-20(10-8-19)34(31,32)27-24-25-11-12-33-24/h3-13,16H,14-15H2,1-2H3,(H,25,27)(H,26,29)	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	>10	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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