Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'dal pozzo' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show 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 |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#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 |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308730 (4-((2S,5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H38N8O9/c28-27(29)30-11-5-9-16-23(41)31-14-20(36)32-19(13-22(39)40)26(44)35-18(12-15-6-2-1-3-7-15)25(43)34-17(24(42)33-16)8-4-10-21(37)38/h1-3,6-7,16-19H,4-5,8-14H2,(H,31,41)(H,32,36)(H,33,42)(H,34,43)(H,35,44)(H,37,38)(H,39,40)(H4,28,29,30)/t16-,17-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	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 integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C38H51N9O13/c39-38(40)41-12-4-7-26-34(54)43-20-29(48)44-28(18-31(50)51)35(55)46-27(17-23-5-2-1-3-6-23)36(56)47-33(37(57)45-26)25-10-8-24(9-11-25)19-42-30(49)21-59-15-13-58-14-16-60-22-32(52)53/h1-3,5-6,8-11,26-28,33H,4,7,12-22H2,(H,42,49)(H,43,54)(H,44,48)(H,45,57)(H,46,55)(H,47,56)(H,50,51)(H,52,53)(H4,39,40,41)/t26-,27+,28-,33?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	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 integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308726 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]/[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6@@H]-4-[#7]-[#6](=O)-[#6@@H](-[#6]-c5ccccc5)-[#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]-4=O)c3-[#6]-n1c2=O |r| Show InChI InChI=1S/C50H58N12O13/c1-2-50(73)32-21-38-42-30(25-62(38)47(71)31(32)26-74-48(50)72)29(28-12-6-7-13-33(28)58-42)23-56-75-19-18-53-39(63)16-8-14-35-44(68)59-34(15-9-17-54-49(51)52)43(67)55-24-40(64)57-37(22-41(65)66)46(70)61-36(45(69)60-35)20-27-10-4-3-5-11-27/h3-7,10-13,21,23,34-37,73H,2,8-9,14-20,22,24-26H2,1H3,(H,53,63)(H,55,67)(H,57,64)(H,59,68)(H,60,69)(H,61,70)(H,65,66)(H4,51,52,54)/b56-23-/t34-,35-,36+,37-,50-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.370	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 integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308726 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]/[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6@@H]-4-[#7]-[#6](=O)-[#6@@H](-[#6]-c5ccccc5)-[#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]-4=O)c3-[#6]-n1c2=O |r| Show InChI InChI=1S/C50H58N12O13/c1-2-50(73)32-21-38-42-30(25-62(38)47(71)31(32)26-74-48(50)72)29(28-12-6-7-13-33(28)58-42)23-56-75-19-18-53-39(63)16-8-14-35-44(68)59-34(15-9-17-54-49(51)52)43(67)55-24-40(64)57-37(22-41(65)66)46(70)61-36(45(69)60-35)20-27-10-4-3-5-11-27/h3-7,10-13,21,23,34-37,73H,2,8-9,14-20,22,24-26H2,1H3,(H,53,63)(H,55,67)(H,57,64)(H,59,68)(H,60,69)(H,61,70)(H,65,66)(H4,51,52,54)/b56-23-/t34-,35-,36+,37-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.590	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308727 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#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 |r| Show InChI InChI=1S/C38H53N11O12/c39-38(40)42-12-4-7-26-34(55)44-20-29(50)45-28(18-32(53)54)35(56)47-27(17-23-5-2-1-3-6-23)36(57)48-33(37(58)46-26)25-10-8-24(9-11-25)19-43-30(51)21-60-15-13-59-14-16-61-22-31(52)49-41/h1-3,5-6,8-11,26-28,33H,4,7,12-22,41H2,(H,43,51)(H,44,55)(H,45,50)(H,46,58)(H,47,56)(H,48,57)(H,49,52)(H,53,54)(H4,39,40,42)/t26-,27+,28-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	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 integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183594 (CHEMBL203693 | c[RGDf-(S)-alpha-TfmV]) Show SMILES [#6]-[#6](-[#6])[C@@]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)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308727 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#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 |r| Show InChI InChI=1S/C38H53N11O12/c39-38(40)42-12-4-7-26-34(55)44-20-29(50)45-28(18-32(53)54)35(56)47-27(17-23-5-2-1-3-6-23)36(57)48-33(37(58)46-26)25-10-8-24(9-11-25)19-43-30(51)21-60-15-13-59-14-16-61-22-31(52)49-41/h1-3,5-6,8-11,26-28,33H,4,7,12-22,41H2,(H,43,51)(H,44,55)(H,45,50)(H,46,58)(H,47,56)(H,48,57)(H,49,52)(H,53,54)(H4,39,40,42)/t26-,27+,28-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C38H51N9O13/c39-38(40)41-12-4-7-26-34(54)43-20-29(48)44-28(18-31(50)51)35(55)46-27(17-23-5-2-1-3-6-23)36(56)47-33(37(57)45-26)25-10-8-24(9-11-25)19-42-30(49)21-59-15-13-58-14-16-60-22-32(52)53/h1-3,5-6,8-11,26-28,33H,4,7,12-22H2,(H,42,49)(H,43,54)(H,44,48)(H,45,57)(H,46,55)(H,47,56)(H,50,51)(H,52,53)(H4,39,40,41)/t26-,27+,28-,33?/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308729 (4-(4-((2S,5S,11S,14R)-14-benzyl-11-(carboxymethyl)...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C34H43N9O10/c35-34(36)37-14-4-7-22-30(50)39-18-26(45)40-24(16-28(48)49)31(51)42-23(15-19-5-2-1-3-6-19)32(52)43-29(33(53)41-22)21-10-8-20(9-11-21)17-38-25(44)12-13-27(46)47/h1-3,5-6,8-11,22-24,29H,4,7,12-18H2,(H,38,44)(H,39,50)(H,40,45)(H,41,53)(H,42,51)(H,43,52)(H,46,47)(H,48,49)(H4,35,36,37)/t22-,23+,24-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	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 integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183587 (CHEMBL379911 | c[RGDf-(S,R)-alpha-Dfm-F]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)[#6](F)F Show InChI InChI=1S/C31H38F2N8O7/c32-28(33)31(16-19-10-5-2-6-11-19)29(48)40-20(12-7-13-36-30(34)35)25(45)37-17-23(42)38-22(15-24(43)44)26(46)39-21(27(47)41-31)14-18-8-3-1-4-9-18/h1-6,8-11,20-22,28H,7,12-17H2,(H,37,45)(H,38,42)(H,39,46)(H,40,48)(H,41,47)(H,43,44)(H4,34,35,36)/t20-,21+,22-,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308722 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]-[#6]-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r,w:24.26| Show InChI InChI=1S/C62H73N13O16/c1-2-62(87)43-28-49-54-41(32-75(49)59(85)42(43)33-91-60(62)86)39(40-12-6-7-14-44(40)70-54)13-8-21-68-74-52(78)35-90-25-23-88-22-24-89-34-51(77)66-30-38-18-16-37(17-19-38)27-47-56(82)71-45(15-9-20-65-61(63)64)55(81)67-31-50(76)69-48(29-53(79)80)58(84)73-46(57(83)72-47)26-36-10-4-3-5-11-36/h3-7,10-12,14,16-19,21,28,45-48,87H,2,8-9,13,15,20,22-27,29-35H2,1H3,(H,66,77)(H,67,81)(H,69,76)(H,71,82)(H,72,83)(H,73,84)(H,74,78)(H,79,80)(H4,63,64,65)/t45-,46+,47-,48-,62-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308724 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r| Show InChI InChI=1S/C62H73N13O17/c1-2-62(87)43-27-49-54-41(32-75(49)59(85)42(43)33-91-60(62)86)40(39-11-6-7-12-44(39)71-54)30-69-92-20-19-65-51(77)34-89-23-21-88-22-24-90-35-52(78)67-29-38-16-14-37(15-17-38)26-47-56(82)72-45(13-8-18-66-61(63)64)55(81)68-31-50(76)70-48(28-53(79)80)58(84)74-46(57(83)73-47)25-36-9-4-3-5-10-36/h3-7,9-12,14-17,27,30,45-48,87H,2,8,13,18-26,28-29,31-35H2,1H3,(H,65,77)(H,67,78)(H,68,81)(H,70,76)(H,72,82)(H,73,83)(H,74,84)(H,79,80)(H4,63,64,66)/b69-30+/t45-,46+,47-,48-,62-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	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 integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308725 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r| Show InChI InChI=1S/C58H65N13O14/c1-2-58(83)39-25-45-50-37(30-71(45)55(81)38(39)31-84-56(58)82)36(35-11-6-7-12-40(35)67-50)28-65-85-22-21-61-46(72)18-19-47(73)63-27-34-16-14-33(15-17-34)24-43-52(78)68-41(13-8-20-62-57(59)60)51(77)64-29-48(74)66-44(26-49(75)76)54(80)70-42(53(79)69-43)23-32-9-4-3-5-10-32/h3-7,9-12,14-17,25,28,41-44,83H,2,8,13,18-24,26-27,29-31H2,1H3,(H,61,72)(H,63,73)(H,64,77)(H,66,74)(H,68,78)(H,69,79)(H,70,80)(H,75,76)(H4,59,60,62)/b65-28+/t41-,42+,43-,44-,58-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183582 (CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF]) Show SMILES [#6]-[#7]1-[#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](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308725 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r| Show InChI InChI=1S/C58H65N13O14/c1-2-58(83)39-25-45-50-37(30-71(45)55(81)38(39)31-84-56(58)82)36(35-11-6-7-12-40(35)67-50)28-65-85-22-21-61-46(72)18-19-47(73)63-27-34-16-14-33(15-17-34)24-43-52(78)68-41(13-8-20-62-57(59)60)51(77)64-29-48(74)66-44(26-49(75)76)54(80)70-42(53(79)69-43)23-32-9-4-3-5-10-32/h3-7,9-12,14-17,25,28,41-44,83H,2,8,13,18-24,26-27,29-31H2,1H3,(H,61,72)(H,63,73)(H,64,77)(H,66,74)(H,68,78)(H,69,79)(H,70,80)(H,75,76)(H4,59,60,62)/b65-28+/t41-,42+,43-,44-,58-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183593 (CHEMBL379056 | c[RGD-(S)-alpha-TfmfV]) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)[C@]([#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)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)20-23(44)36-16(9-6-10-33-25(31)32)21(42)34-13-18(39)35-17(11-19(40)41)22(43)38-26(24(45)37-20,27(28,29)30)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)(H4,31,32,33)/t16-,17-,20-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.0	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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50183590 (CHEMBL380434 | c(RGDfF)) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.3	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-V/beta-3 (Homo sapiens (Human))	BDBM50308723 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r,w:22.24| Show InChI InChI=1S/C60H69N13O16/c1-2-60(85)41-25-47-52-39(30-73(47)57(83)40(41)31-89-58(60)84)38(37-11-6-7-12-42(37)68-52)28-66-72-50(76)33-88-22-20-86-19-21-87-32-49(75)64-27-36-16-14-35(15-17-36)24-45-54(80)69-43(13-8-18-63-59(61)62)53(79)65-29-48(74)67-46(26-51(77)78)56(82)71-44(55(81)70-45)23-34-9-4-3-5-10-34/h3-7,9-12,14-17,25,28,43-46,85H,2,8,13,18-24,26-27,29-33H2,1H3,(H,64,75)(H,65,79)(H,67,74)(H,69,80)(H,70,81)(H,71,82)(H,72,76)(H,77,78)(H4,61,62,63)/t43-,44+,45-,46-,60-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308724 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r| Show InChI InChI=1S/C62H73N13O17/c1-2-62(87)43-27-49-54-41(32-75(49)59(85)42(43)33-91-60(62)86)40(39-11-6-7-12-44(39)71-54)30-69-92-20-19-65-51(77)34-89-23-21-88-22-24-90-35-52(78)67-29-38-16-14-37(15-17-38)26-47-56(82)72-45(13-8-18-66-61(63)64)55(81)68-31-50(76)70-48(28-53(79)80)58(84)74-46(57(83)73-47)25-36-9-4-3-5-10-36/h3-7,9-12,14-17,27,30,45-48,87H,2,8,13,18-26,28-29,31-35H2,1H3,(H,65,77)(H,67,78)(H,68,81)(H,70,76)(H,72,82)(H,73,83)(H,74,84)(H,79,80)(H4,63,64,66)/b69-30+/t45-,46+,47-,48-,62-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183590 (CHEMBL380434 | c(RGDfF)) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.7	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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50183582 (CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF]) Show SMILES [#6]-[#7]1-[#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](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.8	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-V/beta-3 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#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 |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.9	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-V/beta-3 (Homo sapiens (Human))	BDBM50183585 (CHEMBL383747 | c(RGDfMeF)) Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-1=O Show InChI InChI=1S/C31H40N8O7/c1-39-24(16-20-11-6-3-7-12-20)29(45)37-21(13-8-14-34-31(32)33)27(43)35-18-25(40)36-22(17-26(41)42)28(44)38-23(30(39)46)15-19-9-4-2-5-10-19/h2-7,9-12,21-24H,8,13-18H2,1H3,(H,35,43)(H,36,40)(H,37,45)(H,38,44)(H,41,42)(H4,32,33,34)/t21-,22-,23+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.8	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-V/beta-5 (Homo sapiens (Human))	BDBM50183585 (CHEMBL383747 | c(RGDfMeF)) Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-1=O Show InChI InChI=1S/C31H40N8O7/c1-39-24(16-20-11-6-3-7-12-20)29(45)37-21(13-8-14-34-31(32)33)27(43)35-18-25(40)36-22(17-26(41)42)28(44)38-23(30(39)46)15-19-9-4-2-5-10-19/h2-7,9-12,21-24H,8,13-18H2,1H3,(H,35,43)(H,36,40)(H,37,45)(H,38,44)(H,41,42)(H4,32,33,34)/t21-,22-,23+,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.8	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308722 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]-[#6]-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r,w:24.26| Show InChI InChI=1S/C62H73N13O16/c1-2-62(87)43-28-49-54-41(32-75(49)59(85)42(43)33-91-60(62)86)39(40-12-6-7-14-44(40)70-54)13-8-21-68-74-52(78)35-90-25-23-88-22-24-89-34-51(77)66-30-38-18-16-37(17-19-38)27-47-56(82)71-45(15-9-20-65-61(63)64)55(81)67-31-50(76)69-48(29-53(79)80)58(84)73-46(57(83)72-47)26-36-10-4-3-5-11-36/h3-7,10-12,14,16-19,21,28,45-48,87H,2,8-9,13,15,20,22-27,29-35H2,1H3,(H,66,77)(H,67,81)(H,69,76)(H,71,82)(H,72,83)(H,73,84)(H,74,78)(H,79,80)(H4,63,64,65)/t45-,46+,47-,48-,62-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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 integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50308730 (4-((2S,5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H38N8O9/c28-27(29)30-11-5-9-16-23(41)31-14-20(36)32-19(13-22(39)40)26(44)35-18(12-15-6-2-1-3-7-15)25(43)34-17(24(42)33-16)8-4-10-21(37)38/h1-3,6-7,16-19H,4-5,8-14H2,(H,31,41)(H,32,36)(H,33,42)(H,34,43)(H,35,44)(H,37,38)(H,39,40)(H4,28,29,30)/t16-,17-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50183592 (CHEMBL204309 | c[RGDf-(S)-alpha-TfmF]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)[C@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)26(47)40-21(27(48)42-30)14-18-8-3-1-4-9-18/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21+,22-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.5	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-V/beta-3 (Homo sapiens (Human))	BDBM50183594 (CHEMBL203693 | c[RGDf-(S)-alpha-TfmV]) Show SMILES [#6]-[#6](-[#6])[C@@]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)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.3	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-V/beta-3 (Homo sapiens (Human))	BDBM50308729 (4-(4-((2S,5S,11S,14R)-14-benzyl-11-(carboxymethyl)...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C34H43N9O10/c35-34(36)37-14-4-7-22-30(50)39-18-26(45)40-24(16-28(48)49)31(51)42-23(15-19-5-2-1-3-6-19)32(52)43-29(33(53)41-22)21-10-8-20(9-11-21)17-38-25(44)12-13-27(46)47/h1-3,5-6,8-11,22-24,29H,4,7,12-18H2,(H,38,44)(H,39,50)(H,40,45)(H,41,53)(H,42,51)(H,43,52)(H,46,47)(H,48,49)(H4,35,36,37)/t22-,23+,24-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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 integrin alphaVbeta3 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183584 (CHEMBL203077 | c[RGDf-(R)-alpha-TfmV]) Show SMILES [#6]-[#6](-[#6])[C@]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)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42.8	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308723 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O |r,w:22.24| Show InChI InChI=1S/C60H69N13O16/c1-2-60(85)41-25-47-52-39(30-73(47)57(83)40(41)31-89-58(60)84)38(37-11-6-7-12-42(37)68-52)28-66-72-50(76)33-88-22-20-86-19-21-87-32-49(75)64-27-36-16-14-35(15-17-36)24-45-54(80)69-43(13-8-18-63-59(61)62)53(79)65-29-48(74)67-46(26-51(77)78)56(82)71-44(55(81)70-45)23-34-9-4-3-5-10-34/h3-7,9-12,14-17,25,28,43-46,85H,2,8,13,18-24,26-27,29-33H2,1H3,(H,64,75)(H,65,79)(H,67,74)(H,69,80)(H,70,81)(H,71,82)(H,72,76)(H,77,78)(H4,61,62,63)/t43-,44+,45-,46-,60-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183591 (CHEMBL377066 | c[RGD-(R)-alpha-TfmfV]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-21(14-18-8-3-1-4-9-18)26(47)40-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)27(48)42-30/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21-,22-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72.7	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183589 (CHEMBL381589 | c[RGDf-(R)-alpha-TfmF]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)[C@@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)26(47)40-21(27(48)42-30)14-18-8-3-1-4-9-18/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21+,22-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.5	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50183586 (CHEMBL381590 | c[RGDf-(R)-N-Me-alpha-TfmF]) Show SMILES [#6]-[#7]1-[#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](=O)[C@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.9	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
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show 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 |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB UniProtKB/SwissProt 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-V/beta-3 (Homo sapiens (Human))	BDBM50183593 (CHEMBL379056 | c[RGD-(S)-alpha-TfmfV]) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)[C@]([#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)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)20-23(44)36-16(9-6-10-33-25(31)32)21(42)34-13-18(39)35-17(11-19(40)41)22(43)38-26(24(45)37-20,27(28,29)30)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)(H4,31,32,33)/t16-,17-,20-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	237	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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50183584 (CHEMBL203077 | c[RGDf-(R)-alpha-TfmV]) Show SMILES [#6]-[#6](-[#6])[C@]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)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	285	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-V/beta-3 (Homo sapiens (Human))	BDBM50183587 (CHEMBL379911 | c[RGDf-(S,R)-alpha-Dfm-F]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)[#6](F)F Show InChI InChI=1S/C31H38F2N8O7/c32-28(33)31(16-19-10-5-2-6-11-19)29(48)40-20(12-7-13-36-30(34)35)25(45)37-17-23(42)38-22(15-24(43)44)26(46)39-21(27(47)41-31)14-18-8-3-1-4-9-18/h1-6,8-11,20-22,28H,7,12-17H2,(H,37,45)(H,38,42)(H,39,46)(H,40,48)(H,41,47)(H,43,44)(H4,34,35,36)/t20-,21+,22-,31?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	332	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-V/beta-3 (Homo sapiens (Human))	BDBM50183586 (CHEMBL381590 | c[RGDf-(R)-N-Me-alpha-TfmF]) Show SMILES [#6]-[#7]1-[#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](=O)[C@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	704	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50129133 (CHEMBL3628320) Show SMILES CCCCCCCCSSCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1 |r| Show InChI InChI=1S/C30H52N4O6S2/c1-7-8-9-10-11-13-16-41-42-17-14-12-15-23-18-24(35)33-27(21(4)5)30(39)32-22(6)28(37)34-26(20(2)3)29(38)31-19-25(36)40-23/h12,15,20-23,26-27H,7-11,13-14,16-19H2,1-6H3,(H,31,38)(H,32,39)(H,33,35)(H,34,37)/b15-12+/t22-,23-,26-,27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Ronzoni Institute for Chemical and Biochem. Research Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method				Bioorg Med Chem 23: 6785-93 (2015) Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50183588 (CHEMBL203930 | c[RG-(R)-alpha-TfmDfV]) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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-V/beta-3 (Homo sapiens (Human))	BDBM50183583 (CHEMBL409143 | c[RG-(S)-alpha-TfmDfV]) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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

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