BindingDB PrimarySearch

BDBM50166106 CHEMBL436283::N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-)

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O

InChI Key: InChIKey=MBXBICVKLVYNKD-XFTNXAEASA-N

Data: 7 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50166106
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement as...				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Agonist activity at CXCR7 (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as...				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting				ACS Med Chem Lett 2: 477-480 (2011) Article DOI: 10.1021/ml200047e BindingDB Entry DOI: 10.7270/Q2D21ZNH
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of CXCR4 (unknown origin)				Bioorg Med Chem 22: 4759-69 (2014) Article DOI: 10.1016/j.bmc.2014.07.004 BindingDB Entry DOI: 10.7270/Q2XG9SVZ
UiT The Arctic University of Norway Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cells				Bioorg Med Chem Lett 18: 4124-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.092 BindingDB Entry DOI: 10.7270/Q2PN95FP
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr				J Med Chem 55: 2746-57 (2012) Article DOI: 10.1021/jm2016914 BindingDB Entry DOI: 10.7270/Q2FJ2HTW
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 \| N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Agonist activity at CXCR7 (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as...				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair