BDBM50314758 (S)-N-((1-(((S)-1-isopropylpiperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)methyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1092637

SMILES: CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc34)nc3ccccc23)C1

InChI Key: InChIKey=QSKQVYGGIODIIN-OFVILXPXSA-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 = 50314758   

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-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50314758 ((S)-N-((1-(((S)-1-isopropylpiperidin-3-yl)methyl)-...) Show SMILES CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc34)nc3ccccc23)C1 |r| Show InChI InChI=1S/C27H37N5/c1-20(2)31-16-8-9-21(17-31)18-32-24-13-5-4-12-23(24)29-26(32)19-30(3)25-14-6-10-22-11-7-15-28-27(22)25/h4-5,7,11-13,15,20-21,25H,6,8-10,14,16-19H2,1-3H3/t21-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human CXCR4				Bioorg Med Chem Lett 20: 2125-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.053 BindingDB Entry DOI: 10.7270/Q2ZW1M20
					More data for this Ligand-Target Pair