BDBM50333893 CHEMBL1644072::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(2-(aminomethyl)-4-methoxybenzyl)-5,6,7,8-tetrahydroquinolin-8-amine

SMILES: COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1

InChI Key: InChIKey=HJJHPNDUMFXUSH-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 = 50333893   

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))	BDBM50333893 (CHEMBL1644072 | N-((1H-benzo[d]imidazol-2-yl)methy...) Show SMILES COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1 Show InChI InChI=1S/C26H29N5O/c1-32-21-12-11-19(20(14-21)15-27)16-31(17-25-29-22-8-2-3-9-23(22)30-25)24-10-4-6-18-7-5-13-28-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,27H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling				Bioorg Med Chem Lett 21: 262-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.023 BindingDB Entry DOI: 10.7270/Q21N81D9
					More data for this Ligand-Target Pair