cilengitide [Ligand Id: 6597] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL429876 (Cilengitide, EMD-12192, EMD 121974, EMD-121974) |
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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 human recombinant integrin alpha5beta1 incubated for 1 hr by ELISA assay | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2021) 64: 6972-6984 [PMID:33961417] |
| 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 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 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 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 | Inhibition of human recombinant integrin alphavbeta3 incubated for 1 hr by ELISA assay | B | 5.85 | pIC50 | 1400 | nM | IC50 | J Med Chem (2021) 64: 6972-6984 [PMID:33961417] |
| 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 | Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to fibrinogen in human SK-OV-3 cells expressing alphavbeta5 integrin receptor | B | 6.66 | pIC50 | 220 | nM | IC50 | Bioorg Med Chem Lett (2022) 73: 128888-128888 [PMID:35839966] |
| 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 | Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to fibrinogen in human HEK293 cells | B | 6.96 | pIC50 | 110 | nM | IC50 | Bioorg Med Chem Lett (2022) 73: 128888-128888 [PMID:35839966] |
| 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 | 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 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 | 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 | 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 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 | 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 | Inhibition of alphavbeta5 integrin receptor-mediated cell adhesion to vitronectin in human HT-29 cells | B | 6.46 | pIC50 | 350 | nM | IC50 | Bioorg Med Chem Lett (2022) 73: 128888-128888 [PMID:35839966] |
| 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 alpha-v-beta-5 integrin receptor | B | 9.89 | pIC50 | 0.13 | nM | IC50 | J Med Chem (2005) 48: 7675-7687 [PMID:16302808] |
| 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 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] |
| 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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
