BDBM50443552 CHEMBL3091690

SMILES: NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc12

InChI Key: InChIKey=BGWQKCHJKBRVRX-IZLXSDGUSA-N

Data: 2 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 2 hits for monomerid = 50443552   

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))	BDBM50443552 (CHEMBL3091690) Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C29H37N5/c30-14-3-4-18-33(28-11-5-9-24-10-6-15-32-29(24)28)22-27-19-25-7-1-2-8-26(25)21-34(27)20-23-12-16-31-17-13-23/h1-2,6-8,10,12-13,15-17,27-28H,3-5,9,11,14,18-22,30H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene ...				ACS Med Chem Lett 4: 1025-30 (2013) Article DOI: 10.1021/ml400183q BindingDB Entry DOI: 10.7270/Q2ZS2Z0K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50443552 (CHEMBL3091690) Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C29H37N5/c30-14-3-4-18-33(28-11-5-9-24-10-6-15-32-29(24)28)22-27-19-25-7-1-2-8-26(25)21-34(27)20-23-12-16-31-17-13-23/h1-2,6-8,10,12-13,15-17,27-28H,3-5,9,11,14,18-22,30H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay				ACS Med Chem Lett 4: 1025-30 (2013) Article DOI: 10.1021/ml400183q BindingDB Entry DOI: 10.7270/Q2ZS2Z0K
					More data for this Ligand-Target Pair