BDBM50112267 CHEMBL3608771

SMILES: COc1ncc(CN2CCC(CC2)c2[nH]ncc2Cc2ccccc2)cn1

InChI Key: InChIKey=ZFCVBEGVMSSCFW-UHFFFAOYSA-N

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 = 50112267   

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))	BDBM50112267 (CHEMBL3608771) Show SMILES COc1ncc(CN2CCC(CC2)c2[nH]ncc2Cc2ccccc2)cn1 Show InChI InChI=1S/C21H25N5O/c1-27-21-22-12-17(13-23-21)15-26-9-7-18(8-10-26)20-19(14-24-25-20)11-16-5-3-2-4-6-16/h2-6,12-14,18H,7-11,15H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1beta form CCR5 (unknown origin)				ACS Med Chem Lett 6: 753-7 (2015) BindingDB Entry DOI: 10.7270/Q2K64KVQ
					More data for this Ligand-Target Pair