BDBM50335557 CHEMBL1652605::N,N-dipropyl-N'-[4-({[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)benzyl]-N'-methylbutane-1,4-diamine tri-(2R,3R)-tartrate

SMILES: CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

InChI Key: InChIKey=SHGBVICHXYKTGY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50335557   

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))	BDBM50335557 (CHEMBL1652605 | N,N-dipropyl-N'-[4-({[(1H-imidazol...) Show SMILES CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 Show InChI InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Infectious Diseases Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting				Antimicrob Agents Chemother 53: 2940-8 (2009) Article DOI: 10.1128/AAC.01727-08 BindingDB Entry DOI: 10.7270/Q2GF0TR7
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50335557 (CHEMBL1652605 | N,N-dipropyl-N'-[4-({[(1H-imidazol...) Show SMILES CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 Show InChI InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis				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))	BDBM50335557 (CHEMBL1652605 | N,N-dipropyl-N'-[4-({[(1H-imidazol...) Show SMILES CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 Show InChI InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells				Antimicrob Agents Chemother 53: 2940-8 (2009) Article DOI: 10.1128/AAC.01727-08 BindingDB Entry DOI: 10.7270/Q2GF0TR7
					More data for this Ligand-Target Pair