BDBM221871 US9314468, Table 8, Compound 9::US9314468, Table 9, Compound 12

SMILES: C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1

InChI Key: InChIKey=GXPPYEGXOSWLLT-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 = 221871   

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))	BDBM221871 (US9314468, Table 8, Compound 9 | US9314468, Table ...) Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1 Show InChI InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Altiris Therapeutics, Inc. US Patent					Assay Description This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...				US Patent US9314468 (2016) BindingDB Entry DOI: 10.7270/Q2DF6Q2P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM221871 (US9314468, Table 8, Compound 9 | US9314468, Table ...) Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1 Show InChI InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	25
Altiris Therapeutics, Inc. US Patent					Assay Description The in vitro effects of the selected compounds on the hERG (human ether-á-go-go-related gene) potassium channel current (a surrogate for IKr, the rap...				US Patent US9314468 (2016) BindingDB Entry DOI: 10.7270/Q2DF6Q2P
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM221871 (US9314468, Table 8, Compound 9 | US9314468, Table ...) Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1 Show InChI InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	37
Altiris Therapeutics, Inc. US Patent					Assay Description Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...				US Patent US9314468 (2016) BindingDB Entry DOI: 10.7270/Q2DF6Q2P
					More data for this Ligand-Target Pair