null

SMILES: C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1

InChI Key: InChIKey=ZWRNWGSOEVSTSJ-IZLXSDGUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50270028   

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))	BDBM50270028 (CHEMBL4071612) Show SMILES C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 |r| Show InChI InChI=1S/C29H37N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-2,6-10,12,15-16,20,27-28,30,33H,3-5,11,13-14,17-19,21-22H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Agonist activity at CXCR4 in human CCRF-CEM cells assessed as induction of Ca2+ flux measured for 90 secs by calcium dye-based fluorescence assay				J Med Chem 61: 946-979 (2018) Article DOI: 10.1021/acs.jmedchem.7b01420 BindingDB Entry DOI: 10.7270/Q2KH0QTH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50270028 (CHEMBL4071612) Show SMILES C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 |r| Show InChI InChI=1S/C29H37N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-2,6-10,12,15-16,20,27-28,30,33H,3-5,11,13-14,17-19,21-22H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in microsomes of insect cells using AMMC as substrate preincubated for 30 mins followed by NADP addi...				J Med Chem 61: 946-979 (2018) Article DOI: 10.1021/acs.jmedchem.7b01420 BindingDB Entry DOI: 10.7270/Q2KH0QTH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50270028 (CHEMBL4071612) Show SMILES C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 |r| Show InChI InChI=1S/C29H37N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-2,6-10,12,15-16,20,27-28,30,33H,3-5,11,13-14,17-19,21-22H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF...				J Med Chem 61: 946-979 (2018) Article DOI: 10.1021/acs.jmedchem.7b01420 BindingDB Entry DOI: 10.7270/Q2KH0QTH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50270028 (CHEMBL4071612) Show SMILES C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 |r| Show InChI InChI=1S/C29H37N5/c1-2-10-26-21-33-27(18-25(26)9-1)22-34(28-13-5-11-24-12-7-16-32-29(24)28)17-4-3-14-30-19-23-8-6-15-31-20-23/h1-2,6-10,12,15-16,20,27-28,30,33H,3-5,11,13-14,17-19,21-22H2/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 61: 946-979 (2018) Article DOI: 10.1021/acs.jmedchem.7b01420 BindingDB Entry DOI: 10.7270/Q2KH0QTH
					More data for this Ligand-Target Pair