BDBM50316633 (S)-N-((4-(3-(dimethylamino)propyl)isoquinolin-3-yl)methyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine::CHEMBL1096504

SMILES: CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc23)ncc2ccccc12

InChI Key: InChIKey=NCJXUQPGDDNZEA-DEOSSOPVSA-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 = 50316633   

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))	BDBM50316633 ((S)-N-((4-(3-(dimethylamino)propyl)isoquinolin-3-y...) Show SMILES CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc23)ncc2ccccc12 |r| Show InChI InChI=1S/C25H32N4/c1-28(2)16-8-13-22-21-12-5-4-9-20(21)17-27-23(22)18-29(3)24-14-6-10-19-11-7-15-26-25(19)24/h4-5,7,9,11-12,15,17,24H,6,8,10,13-14,16,18H2,1-3H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to human CXCR4 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 3026-30 (2010) Article DOI: 10.1016/j.bmcl.2010.03.118 BindingDB Entry DOI: 10.7270/Q2J67H2D
					More data for this Ligand-Target Pair