BindingDB PrimarySearch

BDBM50237601 CHEMBL411941::CycloRGDfV::[(2S,5R,8S,11S)-5-Benzyl-11-(3-guanidino-propyl)-8-isopropyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid::[5-Benzyl-11-(3-guanidino-propyl)-8-isopropyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid(Cyclo (RGDfV))::c(RGDfV)::c-[-Arg-Gly-Asp-fV-]::c[Arg-Gly-Asp-(R)-Phe-Val]::cyclo(Arg-Gly-Asp-D-Phe-Val)

SMILES: [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O

InChI Key: InChIKey=YYQUWEHEBOMRPH-NYUBLWNDSA-N

Data: 22 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50237601
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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	325	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay				Bioorg Med Chem Lett 21: 2116-20 (2011) Article DOI: 10.1016/j.bmcl.2011.01.133 BindingDB Entry DOI: 10.7270/Q23779ZW
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Binding affinity to integrin alphavbeta3 receptor in human WM115 cells assessed as inhibition of cell adhesion to vitronectin after 0.5 hr by fluores...				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360
Bielefeld University Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of integrin alphaIIb-beta3 binding				J Med Chem 44: 3059-65 (2001) BindingDB Entry DOI: 10.7270/Q24T6K3S
University of Hamburg Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
Universit£ di Parma Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin				Bioorg Med Chem Lett 16: 5878-82 (2006) Article DOI: 10.1016/j.bmcl.2006.08.061 BindingDB Entry DOI: 10.7270/Q2W66N0W
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Texas A& M University Curated by ChEMBL					Assay Description Inhibition of human platelet aggregation mediated by alpha llb/beta3 interaction with fibrinogen				J Med Chem 39: 4520-6 (1996) Article DOI: 10.1021/jm960276a BindingDB Entry DOI: 10.7270/Q2X06885
Texas A& M University Curated by ChEMBL					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Inhibition of alpha5beta1 integrin-mediated cell adhesion in human K562 cells on fibronectin coated plate after 30 mins				J Med Chem 53: 106-18 (2010) Article DOI: 10.1021/jm9013532 BindingDB Entry DOI: 10.7270/Q2G161S9
Universita degli Studi di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic Chemistry Ugo Schiff University of Firenze via della Lastruccia 13 Curated by ChEMBL					Assay Description Displacement of [125I]Echistatin from human placental integrin alpha-V-beta-5 receptor				Bioorg Med Chem 16: 4262-71 (2008) Article DOI: 10.1016/j.bmc.2008.02.080 BindingDB Entry DOI: 10.7270/Q2T72J9W
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Inhibition of alphavbeta3 integrin-mediated cell adhesion in human SK-MEL-24 cells on fibronectin coated plate after 30 mins				J Med Chem 53: 106-18 (2010) Article DOI: 10.1021/jm9013532 BindingDB Entry DOI: 10.7270/Q2G161S9
Universita degli Studi di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Inhibition of alphavbeta3 integrin-mediated cell adhesion in HUVEC on vitronectin coated plate after 30 mins				J Med Chem 53: 106-18 (2010) Article DOI: 10.1021/jm9013532 BindingDB Entry DOI: 10.7270/Q2G161S9
Universita degli Studi di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Texas A& M University Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 interaction with vitronectin				J Med Chem 39: 4520-6 (1996) Article DOI: 10.1021/jm960276a BindingDB Entry DOI: 10.7270/Q2X06885
Texas A& M University Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic Chemistry Ugo Schiff University of Firenze via della Lastruccia 13 Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human placental integrin alphaVbeta3 receptor				Bioorg Med Chem 16: 4262-71 (2008) Article DOI: 10.1016/j.bmc.2008.02.080 BindingDB Entry DOI: 10.7270/Q2T72J9W
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta5 receptor after 3 hrs by microplate reader analysis				J Med Chem 55: 10460-74 (2012) Article DOI: 10.1021/jm301058f BindingDB Entry DOI: 10.7270/Q2WD41Q5
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta3 receptor after 3 hrs by microplate reader analysis				J Med Chem 55: 10460-74 (2012) Article DOI: 10.1021/jm301058f BindingDB Entry DOI: 10.7270/Q2WD41Q5
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
Universit£ di Parma Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of biotinylated vitronectin from human integrin alphaVbeta3 measured after 3 hrs by solid-phase receptor binding assay				J Med Chem 60: 248-262 (2017) BindingDB Entry DOI: 10.7270/Q2CC12ZK
Universit£ degli Studi di Parma Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human integrin alphaVbeta3 measured after 4 hrs by ELISA				ACS Med Chem Lett 9: 6-10 (2018) Article DOI: 10.1021/acsmedchemlett.7b00234 BindingDB Entry DOI: 10.7270/Q2S75JVW
Tokyo Medical and Dental University Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to integrin alphaVbeta3 in HDF pretreated for 20 mins followed by vitronectin addition measured after 40 mins by cr...				ACS Med Chem Lett 9: 6-10 (2018) Article DOI: 10.1021/acsmedchemlett.7b00234 BindingDB Entry DOI: 10.7270/Q2S75JVW
Tokyo Medical and Dental University Curated by ChEMBL					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.487	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human alpha-v-beta-3 integrin receptor by ELISA				Bioorg Med Chem Lett 16: 6178-80 (2006) Article DOI: 10.1016/j.bmcl.2006.09.042 BindingDB Entry DOI: 10.7270/Q2C25069
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
ITGA5/ITGB1 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 \| CycloRGDfV \| [(2S,5R,8S,11S)-5-Benz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antagonist activity at alpha5beta1 integrin in human K562 cells assessed as inhibition of fibronectin-mediated cell adhesion after 30 mins by fluores...				Eur J Med Chem 83: 284-93 (2014) Article DOI: 10.1016/j.ejmech.2014.06.041 BindingDB Entry DOI: 10.7270/Q2S75HWX
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair