BDBM50161447 CHEMBL180988::[4-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-1''-yl]-isoquinolin-1-yl-methanone

SMILES: Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2nccc3ccccc23)cc1Cl

InChI Key: InChIKey=VSBDCHHRACGZFL-UHFFFAOYSA-N

Data: 1 KI

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 = 50161447   

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 3 (Homo sapiens (Human))	BDBM50161447 (CHEMBL180988 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...) Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2nccc3ccccc23)cc1Cl Show InChI InChI=1S/C27H29Cl2N3O/c28-24-6-5-20(18-25(24)29)17-19-8-13-31(14-9-19)22-10-15-32(16-11-22)27(33)26-23-4-2-1-3-21(23)7-12-30-26/h1-7,12,18-19,22H,8-11,13-17H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line				Bioorg Med Chem Lett 15: 1375-8 (2005) Article DOI: 10.1016/j.bmcl.2005.01.016 BindingDB Entry DOI: 10.7270/Q2B857NS
					More data for this Ligand-Target Pair