BDBM50125951 CHEMBL3627794

SMILES: NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12

InChI Key: InChIKey=JJZSEBXEANIJCP-PKTZIBPZSA-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 = 50125951   

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))	BDBM50125951 (CHEMBL3627794) Show SMILES NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C25H35N5O/c26-13-4-5-16-29(23-12-6-10-20-11-7-14-28-24(20)23)18-22-19-30(17-15-27-22)25(31)21-8-2-1-3-9-21/h1-3,7-9,11,14,22-23,27H,4-6,10,12-13,15-19,26H2/t22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Emory Institute for Drug Development Curated by ChEMBL					Assay Description Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)				Bioorg Med Chem Lett 25: 4950-5 (2015) BindingDB Entry DOI: 10.7270/Q24Q7WST
					More data for this Ligand-Target Pair