BDBM50088320 1-Methyl-1-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-piperidinium; iodide::CHEMBL62549

SMILES: Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1

InChI Key: InChIKey=PODLDCSLTYPEOD-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 = 50088320   

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))	BDBM50088320 (1-Methyl-1-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycl...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1 |c:15| Show InChI InChI=1S/C32H36N2O/c1-24-9-13-27(14-10-24)28-16-15-26-7-6-8-29(22-30(26)21-28)32(35)33-31-17-11-25(12-18-31)23-34(2)19-4-3-5-20-34/h9-18,21-22H,3-8,19-20,23H2,1-2H3/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	25	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