Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50001621   

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-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))	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))	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))	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
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))	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
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
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))	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
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
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))	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
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
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
Protein Mdm4 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	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 MDM2 in human U87MG 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))	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	76	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
Protein Mdm4 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	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
Protein Mdm4 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	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
Protein Mdm4 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	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 MDM2 in human U87MG 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
Protein Mdm4 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	308	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	333	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 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	389	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 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	437	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	545	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	624	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	685	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 MDM2 in human U87MG 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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	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 MDM2 in human U87MG 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
Protein Mdm4 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	812	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
Protein Mdm4 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	836	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
E3 ubiquitin-protein ligase Mdm2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Universit£ degli Studi di Napoli "Federico II" Curated by ChEMBL					Assay Description Displacement of p53 from MDM2 in human U87MG 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

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