cilengitide [Ligand Id: 6597] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL429876 (Cilengitide, EMD-12192, EMD 121974, EMD-121974)
  • integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)/integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/Integrin alpha-5/beta-1 in Human [ChEMBL: CHEMBL2095226] [GtoPdb: 2455, 2444] [UniProtKB: P05556, P08648]
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  • integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha IIb subunit (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41)/Integrin alpha-IIb/beta-3 in Human [ChEMBL: CHEMBL2093869] [GtoPdb: 2457, 2441] [UniProtKB: P05106, P08514]
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  • integrin, alpha V subunit/integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/Integrin alpha-V/alpha-5 in Human [ChEMBL: CHEMBL3430893] [GtoPdb: 2453, 2444] [UniProtKB: P06756, P08648]
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  • integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha V subunit/Integrin alpha-V/beta-3 in Human [ChEMBL: CHEMBL1907598] [GtoPdb: 2457, 2453] [UniProtKB: P05106, P06756]
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  • integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha V subunit/integrin, beta 5 subunit/Integrin alpha-V/beta-3/alpha-V/beta-5 in Human [ChEMBL: CHEMBL4106150] [GtoPdb: 2457, 2453, 2459] [UniProtKB: P05106, P06756, P18084]
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  • integrin αVβ3 in Human [GtoPdb: 2583]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
integrin, beta 1 subunit (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)/integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/Integrin alpha-5/beta-1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095226] [GtoPdb: 2455, 2444] [UniProtKB: P05556, P08648]
ChEMBL Inhibition of fibronectin binding to human alpha5beta1 integrin after 1 hr by ELISA B 5 pIC50 10100 nM IC50 J Med Chem (2014) 57: 5829-5834 [PMID:24949551]
ChEMBL Binding affinity to alpha5beta1 integrin (unknown origin) B 5.1 pIC50 8000 nM IC50 J Med Chem (2014) 57: 5829-5834 [PMID:24949551]
ChEMBL Inhibition of fibronectin binding to human alpha5beta1 integrin receptor after 1 hr by competitive solid-phase binding ELISA B 7.81 pIC50 15.4 nM IC50 J Med Chem (2014) 57: 3410-3417 [PMID:24654918]
ChEMBL Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO cells by ELISA based solid phase binding assay B 7.81 pIC50 15.4 nM IC50 Bioorg Med Chem Lett (2020) 30: 127039-127039 [PMID:32094009]
ChEMBL Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay B 7.81 pIC50 15.4 nM IC50 J Med Chem (2021) 64: 586-601 [PMID:33356253]
ChEMBL Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA B 7.81 pIC50 15.4 nM IC50 J Med Chem (2018) 61: 4791-4809 [PMID:29775303]
ChEMBL Inhibition of human fibronectin binding to human integrin alpha5beta1 incubated for 1 hr by ELISA B 7.81 pIC50 15.4 nM IC50 J Med Chem (2019) 62: 7417-7430 [PMID:31306009]
ChEMBL Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA B 7.82 pIC50 15 nM IC50 J Med Chem (2013) 56: 1509-1519 [PMID:23362923]
ChEMBL Antagonist activity at alpha5beta1 integrin receptor (unknown origin) by cell-free ELISA B 7.88 pIC50 13.2 nM IC50 J Med Chem (2014) 57: 6301-6315 [PMID:24568695]
integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha IIb subunit (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41)/Integrin alpha-IIb/beta-3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2093869] [GtoPdb: 2457, 2441] [UniProtKB: P05106, P08514]
ChEMBL Inhibition of fibrinogen binding to Integrin alpha2bbeta3 receptor (unknown origin) by competitive ELISA B 5.38 pIC50 4208 nM IC50 J Med Chem (2013) 56: 1509-1519 [PMID:23362923]
ChEMBL Inhibition of fibrinogen binding to alpha2bbeta3 integrin receptor (unknown origin) after 1 hr by competitive solid-phase binding ELISA B 6 pIC50 >1000 nM IC50 J Med Chem (2014) 57: 3410-3417 [PMID:24654918]
ChEMBL Inhibition of fibrinogen binding to recombinant human platelet glycoprotein alpha IIb beta3 integrin B 6.23 pIC50 590 nM IC50 J Med Chem (2002) 45: 1045-1051 [PMID:11855984]
integrin, alpha V subunit/integrin, alpha 5 subunit (fibronectin receptor, alpha polypeptide)/Integrin alpha-V/alpha-5 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3430893] [GtoPdb: 2453, 2444] [UniProtKB: P06756, P08648]
ChEMBL Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter B 9.89 pIC50 0.13 nM IC50 Bioorg Med Chem (2009) 17: 1542-1549 [PMID:19195898]
integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha V subunit/Integrin alpha-V/beta-3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907598] [GtoPdb: 2457, 2453] [UniProtKB: P05106, P06756]
ChEMBL Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated for 3 hrs by competitive binding assay B 9 pKi 1 nM Ki J Med Chem (2018) 61: 7474-7485 [PMID:29883545]
ChEMBL Binding affinity to alphaVbeta3 integrin (unknown origin) B 6.05 pIC50 900 nM IC50 J Med Chem (2014) 57: 5829-5834 [PMID:24949551]
ChEMBL Inhibition of integrin alpha-v/beta-3 mediated M21 cell adhesion to vitronectin with monoclonal antibody P1F6 F 6.4 pIC50 400 nM IC50 J Med Chem (2002) 45: 1045-1051 [PMID:11855984]
ChEMBL Binding affinity to alphaVbeta3 integrin in human SKOV3 cells assessed as inhibition of cell adhesion to fibrinogen measured after 2 hrs by MTT assay B 6.64 pIC50 230 nM IC50 Bioorg Med Chem Lett (2019) 29: 896-900 [PMID:30732943]
ChEMBL Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 hrs by MTT assay B 6.66 pIC50 220 nM IC50 Bioorg Med Chem Lett (2017) 27: 1911-1913 [PMID:28351594]
ChEMBL Inhibition of vitronectin binding to human alphaVbeta3 integrin after 2 hrs by ELISA B 6.7 pIC50 200 nM IC50 J Med Chem (2014) 57: 5829-5834 [PMID:24949551]
ChEMBL Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter B 7.72 pIC50 18.9 nM IC50 Bioorg Med Chem (2009) 17: 1542-1549 [PMID:19195898]
ChEMBL Displacement of [125I]echistatin from AlphaV-beta-3 integrin receptor B 7.72 pIC50 18.9 nM IC50 J Med Chem (2006) 49: 1808-1817 [PMID:16509596]
ChEMBL Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor by solid phase assay B 7.72 pIC50 18.9 nM IC50 J Med Chem (2008) 51: 1771-1782 [PMID:18303826]
ChEMBL Displacement of [125I]echistatin from human placental integrin alphaVbeta3 receptor B 7.72 pIC50 18.9 nM IC50 Bioorg Med Chem (2008) 16: 4262-4271 [PMID:18343671]
ChEMBL Displacement of [125I]-echistatin from alphavbeta3 integrin receptor B 7.72 pIC50 18.9 nM IC50 J Med Chem (2005) 48: 7675-7687 [PMID:16302808]
ChEMBL Inhibition of vitronectin binding to recombinant human alphaV-beta3 integrin B 8.52 pIC50 3 nM IC50 J Med Chem (2002) 45: 1045-1051 [PMID:11855984]
ChEMBL Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay B 9.07 pIC50 0.86 nM IC50 Eur J Med Chem (2007) 42: 334-343 [PMID:17184884]
ChEMBL Antagonist activity at alphavbeta3 integrin receptor (unknown origin) by cell-free ELISA B 9.19 pIC50 0.65 nM IC50 J Med Chem (2014) 57: 6301-6315 [PMID:24568695]
ChEMBL Inhibition of integrin alphaVbeta3 B 9.22 pIC50 0.6 nM IC50 J Med Chem (2010) 53: 4332-4353 [PMID:20218623]
ChEMBL Displacement of biotinylated ECM from human placental integrin alphavbeta3 receptor incubated for 3 hrs B 9.24 pIC50 0.58 nM IC50 Bioorg Med Chem (2016) 24: 989-994 [PMID:26818999]
ChEMBL Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay B 9.27 pIC50 0.54 nM IC50 J Med Chem (2021) 64: 586-601 [PMID:33356253]
ChEMBL Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA B 9.27 pIC50 0.54 nM IC50 J Med Chem (2013) 56: 1509-1519 [PMID:23362923]
ChEMBL Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISA B 9.27 pIC50 0.54 nM IC50 J Med Chem (2014) 57: 3410-3417 [PMID:24654918]
ChEMBL Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA B 9.27 pIC50 0.54 nM IC50 J Med Chem (2018) 61: 4791-4809 [PMID:29775303]
ChEMBL Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA B 9.27 pIC50 0.54 nM IC50 J Med Chem (2019) 62: 7417-7430 [PMID:31306009]
ChEMBL Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO cells by ELISA based solid phase binding assay B 9.27 pIC50 0.54 nM IC50 Bioorg Med Chem Lett (2020) 30: 127039-127039 [PMID:32094009]
ChEMBL Binding affinity to soluble truncated human recombinant Fc-tagged alphaVbeta3 and integrins were expressed in HEK293T cells after 2 hrs by competition ELISA-like assay B 9.29 pIC50 0.51 nM IC50 Bioorg Med Chem Lett (2013) 23: 6068-6072 [PMID:24095096]
ChEMBL Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitronectin after 1 hr in presence of MnCl2 B 9.4 pIC50 0.4 nM IC50 Bioorg Med Chem (2016) 24: 703-711 [PMID:26753814]
integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha V subunit/integrin, beta 5 subunit/Integrin alpha-V/beta-3/alpha-V/beta-5 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106150] [GtoPdb: 2457, 2453, 2459] [UniProtKB: P05106, P06756, P18084]
ChEMBL Antagonist activity at integrin alphaVbeta3alphaVbeta5 (unknown origin) expressed in SKOV3 cells assessed as reduction in cell adhesion to fibrinogen after 2 hrs by MTT assay B 6.43 pIC50 370 nM IC50 Bioorg Med Chem Lett (2017) 27: 1911-1913 [PMID:28351594]
integrin, alpha V subunit/integrin, beta 5 subunit/Integrin alpha-V/beta-5 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2096675] [GtoPdb: 2453, 2459] [UniProtKB: P06756, P18084]
ChEMBL Binding affinity to alphaVbeta5 integrin (unknown origin) B 4.6 pIC50 25000 nM IC50 J Med Chem (2014) 57: 5829-5834 [PMID:24949551]
ChEMBL Inhibition of vitronectin binding to human alphaVbeta5 integrin after 1 hr by ELISA B 5.27 pIC50 5400 nM IC50 J Med Chem (2014) 57: 5829-5834 [PMID:24949551]
ChEMBL Inhibition of integrin alpha-v/beta-5 mediated UCLAP-3 cell adhesion on vitronectin F 6.4 pIC50 400 nM IC50 J Med Chem (2002) 45: 1045-1051 [PMID:11855984]
ChEMBL Antagonist activity at integrin alphaVbeta5 (unknown origin) expressed in HT-29 cells assessed as reduction in cell adhesion to vitronectin after 2 hrs by MTT assay B 6.92 pIC50 120 nM IC50 Bioorg Med Chem Lett (2017) 27: 1911-1913 [PMID:28351594]
ChEMBL Inhibition of vitronectin binding to recombinant human alphaV-beta5 integrin B 7.43 pIC50 37 nM IC50 J Med Chem (2002) 45: 1045-1051 [PMID:11855984]
ChEMBL Antagonist activity at alphavbeta5 integrin receptor (unknown origin) by cell-free ELISA B 7.93 pIC50 11.7 nM IC50 J Med Chem (2014) 57: 6301-6315 [PMID:24568695]
ChEMBL Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO cells by ELISA based solid phase binding assay B 8.1 pIC50 8 nM IC50 Bioorg Med Chem Lett (2020) 30: 127039-127039 [PMID:32094009]
ChEMBL Inhibition of vitronectin binding to Integrin alphaVbeta5 receptor (unknown origin) by competitive ELISA B 8.12 pIC50 7.6 nM IC50 J Med Chem (2013) 56: 1509-1519 [PMID:23362923]
ChEMBL Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay B 8.68 pIC50 2.1 nM IC50 Eur J Med Chem (2007) 42: 334-343 [PMID:17184884]
ChEMBL Displacement of [125I]Echistatin from human placental integrin alpha-V-beta-5 receptor B 9.89 pIC50 0.13 nM IC50 Bioorg Med Chem (2008) 16: 4262-4271 [PMID:18343671]
ChEMBL Displacement of [125I]echistatin from human integrin alpha-V-beta-5 receptor by solid phase assay B 9.89 pIC50 0.13 nM IC50 J Med Chem (2008) 51: 1771-1782 [PMID:18303826]
ChEMBL Displacement of [125I]echistatin from AlphaV-beta-5 integrin receptor B 9.89 pIC50 0.13 nM IC50 J Med Chem (2006) 49: 1808-1817 [PMID:16509596]
ChEMBL Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor B 9.89 pIC50 0.13 nM IC50 J Med Chem (2005) 48: 7675-7687 [PMID:16302808]
integrin, alpha V subunit/integrin, beta 6 subunit/Integrin alpha-V/beta-6 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111416] [GtoPdb: 2453, 2460] [UniProtKB: P06756, P18564]
ChEMBL Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin F 5 pIC50 10000 nM IC50 J Med Chem (2002) 45: 1045-1051 [PMID:11855984]
ChEMBL Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA B 5.78 pIC50 1656 nM IC50 J Med Chem (2013) 56: 1509-1519 [PMID:23362923]
ChEMBL Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin B 6.33 pIC50 470 nM IC50 J Med Chem (2002) 45: 1045-1051 [PMID:11855984]
integrin αVβ3 in Human [GtoPdb: 2583]
GtoPdb - - 8.5 pIC50 - - - J Med Chem (2002) 45: 1045-51 [PMID:11855984]

ChEMBL data shown on this page come from version 32:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]