null

SMILES: CN(C)[C@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50579584   

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))	BDBM50579584 (CHEMBL4863276) Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00449 BindingDB Entry DOI: 10.7270/Q23N277W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50579584 (CHEMBL4863276) Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00449 BindingDB Entry DOI: 10.7270/Q23N277W
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50579584 (CHEMBL4863276) Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CYP2D6 expressed in insect cells using AMMC as substrate preincubated for 30 mins followed by NADPH regenerating syst...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00449 BindingDB Entry DOI: 10.7270/Q23N277W
					More data for this Ligand-Target Pair