BDBM50155310 CHEMBL3779982

SMILES: C(CNCc1ccc(CNc2nc(NC3CCNCC3)c3ccccc3n2)cc1)CNC1CCCCC1

InChI Key: InChIKey=MAVMMPRQZXKLJX-XUXIUFHCSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50155310   

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 (Homo sapiens (Human))	BDBM50155310 (CHEMBL3779982) Show SMILES C(CNCc1ccc(CNc2nc(NC3CCNCC3)c3ccccc3n2)cc1)CNC1CCCCC1 Show InChI InChI=1S/C15H24N2O2/c1-10(18)14-7-4-8-17(14)15(19)13-9-11-5-2-3-6-12(11)16-13/h11-14,16H,2-9H2,1H3/t11-,12-,13-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				Eur J Med Chem 149: 148-169 (2018) Article DOI: 10.1016/j.ejmech.2018.02.043 BindingDB Entry DOI: 10.7270/Q2F76G5C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50155310 (CHEMBL3779982) Show SMILES C(CNCc1ccc(CNc2nc(NC3CCNCC3)c3ccccc3n2)cc1)CNC1CCCCC1 Show InChI InChI=1S/C15H24N2O2/c1-10(18)14-7-4-8-17(14)15(19)13-9-11-5-2-3-6-12(11)16-13/h11-14,16H,2-9H2,1H3/t11-,12-,13-,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane				Eur J Med Chem 114: 65-78 (2016) BindingDB Entry DOI: 10.7270/Q2RR2140
					More data for this Ligand-Target Pair