Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'giuntini' and Initial = 's'   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50229787 ((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...) Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Binding affinity to 6xHis-taged MDM2 (unknown origin) expressed in Escherichia coli Gold (DE3) assessed as inhibition constant				ACS Med Chem Lett 11: 1047-1053 (2020) Article DOI: 10.1021/acsmedchemlett.9b00620 BindingDB Entry DOI: 10.7270/Q20K2D3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287688 (CHEMBL4173382) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C20H22N6O5/c21-20(22)25-14-8-4-5-12(9-14)18(30)23-11-16(27)26-15(10-17(28)29)19(31)24-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,23,30)(H,24,31)(H,26,27)(H,28,29)(H4,21,22,25)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287724 (CHEMBL4163249) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H24N6O5/c22-21(23)26-15-8-4-7-14(9-15)19(31)25-12-17(28)27-16(10-18(29)30)20(32)24-11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,24,32)(H,25,31)(H,27,28)(H,29,30)(H4,22,23,26)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287726 (CHEMBL4177354) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H30N6O5/c29-28(30)33-21-13-7-12-20(14-21)26(38)32-17-24(35)34-23(15-25(36)37)27(39)31-16-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,22-23H,15-17H2,(H,31,39)(H,32,38)(H,34,35)(H,36,37)(H4,29,30,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287989 (CHEMBL4173588) Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287687 (CHEMBL4163281) Show SMILES COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r| Show InChI InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287917 (CHEMBL4166720) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)32-21-11-5-10-20(13-21)25(37)31-16-23(34)33-22(14-24(35)36)26(38)30-15-17-6-4-9-19(12-17)18-7-2-1-3-8-18/h1-13,22H,14-16H2,(H,30,38)(H,31,37)(H,33,34)(H,35,36)(H4,28,29,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287706 (CHEMBL4173995) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H23ClN6O5/c22-14-6-4-12(5-7-14)10-25-20(33)16(9-18(30)31)28-17(29)11-26-19(32)13-2-1-3-15(8-13)27-21(23)24/h1-8,16H,9-11H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287705 (CHEMBL4169540) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)31-20-13-7-12-19(14-20)25(37)30-16-22(34)32-21(15-23(35)36)26(38)33-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,21,24H,15-16H2,(H,30,37)(H,32,34)(H,33,38)(H,35,36)(H4,28,29,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287990 (CHEMBL4165669) Show SMILES C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287988 (CHEMBL4167167) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)32-21-8-4-7-20(13-21)25(37)31-16-23(34)33-22(14-24(35)36)26(38)30-15-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-13,22H,14-16H2,(H,30,38)(H,31,37)(H,33,34)(H,35,36)(H4,28,29,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287896 (CHEMBL4170132) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H28N6O5/c27-26(28)31-20-7-3-6-19(13-20)24(36)30-15-22(33)32-21(14-23(34)35)25(37)29-11-10-16-8-9-17-4-1-2-5-18(17)12-16/h1-9,12-13,21H,10-11,14-15H2,(H,29,37)(H,30,36)(H,32,33)(H,34,35)(H4,27,28,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287986 (CHEMBL4164619) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241617 (CHEMBL4068667) Show SMILES CC(CC(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H31N3O4/c1-20(22-8-3-2-4-9-22)18-26(31)30-24(27(32)33)19-21-11-13-23(14-12-21)34-17-7-16-29-25-10-5-6-15-28-25/h2-6,8-15,20,24H,7,16-19H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t20?,24-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287987 (CHEMBL4167230) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C24H27N7O5/c25-24(26)30-16-5-3-4-14(10-16)22(35)29-13-20(32)31-19(11-21(33)34)23(36)27-9-8-15-12-28-18-7-2-1-6-17(15)18/h1-7,10,12,19,28H,8-9,11,13H2,(H,27,36)(H,29,35)(H,31,32)(H,33,34)(H4,25,26,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287725 (CHEMBL4162220) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H24N6O5/c25-24(26)28-16-8-3-7-15(11-16)22(34)27-13-20(31)29-19(12-21(32)33)23(35)30-18-10-4-6-14-5-1-2-9-17(14)18/h1-11,19H,12-13H2,(H,27,34)(H,29,31)(H,30,35)(H,32,33)(H4,25,26,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241630 (CHEMBL4065471) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C38H37N3O4/c42-36(28-38(30-13-4-1-5-14-30,31-15-6-2-7-16-31)32-17-8-3-9-18-32)41-34(37(43)44)27-29-20-22-33(23-21-29)45-26-12-25-40-35-19-10-11-24-39-35/h1-11,13-24,34H,12,25-28H2,(H,39,40)(H,41,42)(H,43,44)/t34-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241631 (CHEMBL4095983) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-31(23-28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)35-29(32(37)38)22-24-15-17-27(18-16-24)39-21-9-20-34-30-14-7-8-19-33-30/h1-8,10-19,28-29H,9,20-23H2,(H,33,34)(H,35,36)(H,37,38)/t29-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241631 (CHEMBL4095983) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-31(23-28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)35-29(32(37)38)22-24-15-17-27(18-16-24)39-21-9-20-34-30-14-7-8-19-33-30/h1-8,10-19,28-29H,9,20-23H2,(H,33,34)(H,35,36)(H,37,38)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582862 (CHEMBL5081456) Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(=O)NCCN)c(OCc3cccc(c3)C#N)c2)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241618 (CHEMBL4064911) Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29NO4/c33-30(21-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26)32-29(31(34)35)20-23-16-18-27(19-17-23)36-22-24-10-4-1-5-11-24/h1-19,28-29H,20-22H2,(H,32,33)(H,34,35)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241623 (CHEMBL4102803) Show SMILES OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c26-20-13-11-17(12-14-20)15-22(24(28)29)25-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22,26H,15-16H2,(H,25,27)(H,28,29)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241627 (CHEMBL4105199) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29NO4/c1-36-30(35)28(21-23-17-19-27(33)20-18-23)32-29(34)22-31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28,33H,21-22H2,1H3,(H,32,34)/t28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241621 (CHEMBL4095042) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H22ClNO3/c25-20-13-11-17(12-14-20)15-22(24(28)29)26-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22H,15-16H2,(H,26,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582861 (CHEMBL5093056) Show SMILES Cc1c(COc2ccc(CN[C@H](CO)C(O)=O)c(OCc3cncc(c3)C#N)n2)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50287990 (CHEMBL4165669) Show SMILES C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Displacement of p53 from MDM4 in human SHSY-5Y cells incubated for 10 mins by sandwich ELISA method				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287688 (CHEMBL4173382) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C20H22N6O5/c21-20(22)25-14-8-4-5-12(9-14)18(30)23-11-16(27)26-15(10-17(28)29)19(31)24-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,23,30)(H,24,31)(H,26,27)(H,28,29)(H4,21,22,25)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241629 (CHEMBL4100348) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H22N2O5/c27-23(16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19)25-22(24(28)29)15-17-11-13-20(14-12-17)26(30)31/h1-14,21-22H,15-16H2,(H,25,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582860 (CHEMBL5078455) Show SMILES OC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2cccc(c2Br)-c2ccccc2)c(Br)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (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	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287917 (CHEMBL4166720) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)32-21-11-5-10-20(13-21)25(37)31-16-23(34)33-22(14-24(35)36)26(38)30-15-17-6-4-9-19(12-17)18-7-2-1-3-8-18/h1-13,22H,14-16H2,(H,30,38)(H,31,37)(H,33,34)(H,35,36)(H4,28,29,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50239947 (CHEMBL4089730 | US20230303494, Compound BMS202 | U...) Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241626 (CHEMBL4080951) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H25NO4/c1-30-25(29)23(16-18-12-14-21(27)15-13-18)26-24(28)17-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22-23,27H,16-17H2,1H3,(H,26,28)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287989 (CHEMBL4173588) Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287725 (CHEMBL4162220) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H24N6O5/c25-24(26)28-16-8-3-7-15(11-16)22(34)27-13-20(31)29-19(12-21(32)33)23(35)30-18-10-4-6-14-5-1-2-9-17(14)18/h1-11,19H,12-13H2,(H,27,34)(H,29,31)(H,30,35)(H,32,33)(H4,25,26,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50239947 (CHEMBL4089730 | US20230303494, Compound BMS202 | U...) Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287705 (CHEMBL4169540) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)31-20-13-7-12-19(14-20)25(37)30-16-22(34)32-21(15-23(35)36)26(38)33-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,21,24H,15-16H2,(H,30,37)(H,32,34)(H,33,38)(H,35,36)(H4,28,29,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287726 (CHEMBL4177354) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H30N6O5/c29-28(30)33-21-13-7-12-20(14-21)26(38)32-17-24(35)34-23(15-25(36)37)27(39)31-16-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,22-23H,15-17H2,(H,31,39)(H,32,38)(H,34,35)(H,36,37)(H4,29,30,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241628 (CHEMBL4084848) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c26-20-13-11-17(12-14-20)15-22(24(28)29)25-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22,26H,15-16H2,(H,25,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241626 (CHEMBL4080951) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H25NO4/c1-30-25(29)23(16-18-12-14-21(27)15-13-18)26-24(28)17-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22-23,27H,16-17H2,1H3,(H,26,28)/t23-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB 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
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287986 (CHEMBL4164619) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287724 (CHEMBL4163249) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H24N6O5/c22-21(23)26-15-8-4-7-14(9-15)19(31)25-12-17(28)27-16(10-18(29)30)20(32)24-11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,24,32)(H,25,31)(H,27,28)(H,29,30)(H4,22,23,26)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241627 (CHEMBL4105199) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29NO4/c1-36-30(35)28(21-23-17-19-27(33)20-18-23)32-29(34)22-31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28,33H,21-22H2,1H3,(H,32,34)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287987 (CHEMBL4167230) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C24H27N7O5/c25-24(26)30-16-5-3-4-14(10-16)22(35)29-13-20(32)31-19(11-21(33)34)23(36)27-9-8-15-12-28-18-7-2-1-6-17(15)18/h1-7,10,12,19,28H,8-9,11,13H2,(H,27,36)(H,29,35)(H,31,32)(H,33,34)(H4,25,26,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287687 (CHEMBL4163281) Show SMILES COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r| Show InChI InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287988 (CHEMBL4167167) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)32-21-8-4-7-20(13-21)25(37)31-16-23(34)33-22(14-24(35)36)26(38)30-15-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-13,22H,14-16H2,(H,30,38)(H,31,37)(H,33,34)(H,35,36)(H4,28,29,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241622 (CHEMBL4074577) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO3/c26-23(25-22(24(27)28)16-18-10-4-1-5-11-18)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,25,26)(H,27,28)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287990 (CHEMBL4165669) Show SMILES C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50287706 (CHEMBL4173995) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H23ClN6O5/c22-14-6-4-12(5-7-14)10-25-20(33)16(9-18(30)31)28-17(29)11-26-19(32)13-2-1-3-15(8-13)27-21(23)24/h1-8,16H,9-11H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair

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