BDBM50161439 CHEMBL181034::[(3S,4S)-4-(3,4-Dichloro-benzyl)-3-methoxy-[1,4'']bipiperidinyl-1''-yl]-isoquinolin-1-yl-methanone

SMILES: CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1nccc2ccccc12

InChI Key: InChIKey=NRRVTSCGKUQBLL-QFQXNSOFSA-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 = 50161439   

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))	BDBM50161439 (CHEMBL181034 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1nccc2ccccc12 Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-26-18-33(13-9-21(26)16-19-6-7-24(29)25(30)17-19)22-10-14-32(15-11-22)28(34)27-23-5-3-2-4-20(23)8-12-31-27/h2-8,12,17,21-22,26H,9-11,13-16,18H2,1H3/t21-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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