BDBM50225415 CHEMBL237830::N,N'-di-2-pyridinyl-1,4-benzenedimethanamine::US9205085, MSX- 121::WZ-811

SMILES: C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1

InChI Key: InChIKey=KBVFRXIGQQRMEF-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50225415   

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/SDF-1) (Rattus norvegicus (Rat))	BDBM50225415 (CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...) Show SMILES C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 Show InChI InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Emory University US Patent					Assay Description A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high ...				US Patent US9205085 (2015) BindingDB Entry DOI: 10.7270/Q2FF3R5M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50225415 (CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...) Show SMILES C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 Show InChI InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Calabria Curated by ChEMBL					Assay Description Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhod...				Eur J Med Chem 139: 519-530 (2017) Article DOI: 10.1016/j.ejmech.2017.08.027 BindingDB Entry DOI: 10.7270/Q21J9D9V
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50225415 (CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...) Show SMILES C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 Show InChI InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated fo...				J Med Chem 53: 8556-68 (2010) Article DOI: 10.1021/jm100786g BindingDB Entry DOI: 10.7270/Q2PK0GH6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50225415 (CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...) Show SMILES C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1 Show InChI InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells				J Med Chem 50: 5655-64 (2007) Article DOI: 10.1021/jm070679i BindingDB Entry DOI: 10.7270/Q2X066RM
					More data for this Ligand-Target Pair