BDBM50161430 CHEMBL178887::[(3S,4S)-4-(3,4-Dichloro-benzyl)-3-vinyl-[1,4'']bipiperidinyl-1''-yl]-quinolin-6-yl-methanone

SMILES: Clc1ccc(C[C@H]2CCN(C[C@H]2C=C)C2CCN(CC2)C(=O)c2ccc3ncccc3c2)cc1Cl

InChI Key: InChIKey=HDRXESCDVUCCBX-FGZHOGPDSA-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 = 50161430   

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))	BDBM50161430 (CHEMBL178887 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES Clc1ccc(C[C@H]2CCN(C[C@H]2C=C)C2CCN(CC2)C(=O)c2ccc3ncccc3c2)cc1Cl Show InChI InChI=1S/C29H31Cl2N3O/c1-2-21-19-34(13-9-22(21)16-20-5-7-26(30)27(31)17-20)25-10-14-33(15-11-25)29(35)24-6-8-28-23(18-24)4-3-12-32-28/h2-8,12,17-18,21-22,25H,1,9-11,13-16,19H2/t21-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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