BDBM50088306 (1-Ethyl-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-ammonium; iodide::CHEMBL294788

SMILES: CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(C)cc2)cc1

InChI Key: InChIKey=DZPMDPNRYBBNFJ-UHFFFAOYSA-O

Data: 1 IC50

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 = 50088306   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50088306 ((1-Ethyl-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dihyd...) Show SMILES CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(C)cc2)cc1 |t:16| Show InChI InChI=1S/C32H38N2O2/c1-6-30(7-2)34(4,5)22-24-10-15-29(16-11-24)33-32(35)27-18-19-36-31-17-14-26(20-28(31)21-27)25-12-8-23(3)9-13-25/h8-17,20-21,30H,6-7,18-19,22H2,1-5H3/p+1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES				J Med Chem 43: 2049-63 (2000) BindingDB Entry DOI: 10.7270/Q26D5S75
					More data for this Ligand-Target Pair