BDBM50333890 CHEMBL1644092::N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((4-(aminomethyl)oxazol-5-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine

SMILES: NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12

InChI Key: InChIKey=RWGSANVCGKAHII-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 = 50333890   

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))	BDBM50333890 (CHEMBL1644092 | N-((1H-benzo[d]imidazol-2-yl)methy...) Show SMILES NCc1ncoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C22H24N6O/c23-11-18-20(29-14-25-18)12-28(13-21-26-16-7-1-2-8-17(16)27-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,14,19H,3,5,9,11-13,23H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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