Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'o''connell' and Initial = 'ma'   

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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462206 (CHEMBL4248736) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSc2c(F)c(F)c(SC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(N)=O)c(F)c2F)NC(C)=O |r| Show InChI InChI=1S/C39H49F4N9O16S2/c1-14(53)30-38(67)45-11-22(55)47-16(5-7-23(56)57)34(63)50-19(33(44)62)12-69-31-26(40)28(42)32(29(43)27(31)41)70-13-20(46-15(2)54)36(65)49-18(10-25(60)61)39(68)52-9-3-4-21(52)37(66)48-17(35(64)51-30)6-8-24(58)59/h14,16-21,30,53H,3-13H2,1-2H3,(H2,44,62)(H,45,67)(H,46,54)(H,47,55)(H,48,66)(H,49,65)(H,50,63)(H,51,64)(H,56,57)(H,58,59)(H,60,61)/t14-,16+,17+,18+,19+,20+,21+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462212 (CHEMBL4239409) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(O)=O)NC(C)=O |r| Show InChI InChI=1S/C33H48N8O19S2/c1-13(42)26-32(58)34-10-21(44)36-15(3-6-22(45)46)27(53)40-20(33(59)60)12-62-61-11-19(35-14(2)43)31(57)39-18(9-25(51)52)30(56)38-16(4-7-23(47)48)28(54)37-17(29(55)41-26)5-8-24(49)50/h13,15-20,26,42H,3-12H2,1-2H3,(H,34,58)(H,35,43)(H,36,44)(H,37,54)(H,38,56)(H,39,57)(H,40,53)(H,41,55)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/t13-,15+,16+,17+,18+,19+,20+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462209 (CHEMBL4247618) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C48H69N11O20S2/c1-22(2)16-29-44(75)57-31(18-38(69)70)46(77)54-27(11-14-36(65)66)42(73)53-28(12-15-37(67)68)43(74)59-39(23(3)60)48(79)50-19-34(62)52-26(10-13-35(63)64)41(72)56-30(17-25-8-6-5-7-9-25)45(76)58-32(40(49)71)20-80-81-21-33(47(78)55-29)51-24(4)61/h5-9,22-23,26-33,39,60H,10-21H2,1-4H3,(H2,49,71)(H,50,79)(H,51,61)(H,52,62)(H,53,73)(H,54,77)(H,55,78)(H,56,72)(H,57,75)(H,58,76)(H,59,74)(H,63,64)(H,65,66)(H,67,68)(H,69,70)/t23-,26+,27+,28+,29+,30+,31+,32+,33+,39+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462207 (CHEMBL4238711) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CSc2c(F)c(F)c(SC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)C(N)=O)c(F)c2F)NC(C)=O |r| Show InChI InChI=1S/C54H69F4N11O18S2/c1-23(2)17-29-49(82)66-31(19-38(77)78)54(87)69-16-8-11-34(69)52(85)63-28(13-15-37(75)76)48(81)68-43(24(3)70)53(86)60-20-35(72)62-27(12-14-36(73)74)47(80)65-30(18-26-9-6-5-7-10-26)50(83)67-32(46(59)79)21-88-44-39(55)41(57)45(42(58)40(44)56)89-22-33(51(84)64-29)61-25(4)71/h5-7,9-10,23-24,27-34,43,70H,8,11-22H2,1-4H3,(H2,59,79)(H,60,86)(H,61,71)(H,62,72)(H,63,85)(H,64,84)(H,65,80)(H,66,82)(H,67,83)(H,68,81)(H,73,74)(H,75,76)(H,77,78)/t24-,27+,28+,29+,30+,31+,32+,33+,34+,43+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462211 (CHEMBL4250785) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C33H49N9O18S2/c1-13(43)26-33(60)35-10-21(45)37-15(3-6-22(46)47)28(55)41-19(27(34)54)11-61-62-12-20(36-14(2)44)32(59)40-18(9-25(52)53)31(58)39-16(4-7-23(48)49)29(56)38-17(30(57)42-26)5-8-24(50)51/h13,15-20,26,43H,3-12H2,1-2H3,(H2,34,54)(H,35,60)(H,36,44)(H,37,45)(H,38,56)(H,39,58)(H,40,59)(H,41,55)(H,42,57)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t13-,15+,16+,17+,18+,19+,20+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462208 (CHEMBL4243641) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(N)=O |r| Show InChI InChI=1S/C31H47N9O17S2/c1-12(41)24-31(57)34-9-19(42)35-14(2-5-20(43)44)27(53)39-18(25(33)51)11-59-58-10-13(32)26(52)38-17(8-23(49)50)30(56)37-15(3-6-21(45)46)28(54)36-16(29(55)40-24)4-7-22(47)48/h12-18,24,41H,2-11,32H2,1H3,(H2,33,51)(H,34,57)(H,35,42)(H,36,54)(H,37,56)(H,38,52)(H,39,53)(H,40,55)(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t12-,13+,14+,15+,16+,17+,18+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126118 (CHEMBL3627747) Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C28H25IN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/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	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126117 (CHEMBL3627746) Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C28H25BrN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/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	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126119 (CHEMBL3627748) Show SMILES COc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C29H28N4O5/c1-37-20-14-12-19(13-15-20)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)38-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126112 (CHEMBL3627750) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+/m1/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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126114 (CHEMBL3627743) Show SMILES Cc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C29H28N4O4/c1-19-12-14-20(15-13-19)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)37-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/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	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126115 (CHEMBL3627744) Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C29H25F3N4O4/c30-29(31,32)19-13-11-18(12-14-19)26-16-36(35-34-26)15-5-10-25(27(37)38)33-28(39)40-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,33,39)(H,37,38)/t25-/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	6.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126113 (CHEMBL3627749) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C33H35N5O6/c1-33(2,3)44-32(42)34-22-16-14-21(15-17-22)29-19-38(37-36-29)18-8-13-28(30(39)40)35-31(41)43-20-27-25-11-6-4-9-23(25)24-10-5-7-12-26(24)27/h4-7,9-12,14-17,19,27-28H,8,13,18,20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462210 (CHEMBL4238271) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C24H37N7O12S2/c1-10(32)19-24(43)26-7-16(34)28-14(20(25)39)8-44-45-9-15(27-11(2)33)23(42)30-12(3-5-17(35)36)21(40)29-13(22(41)31-19)4-6-18(37)38/h10,12-15,19,32H,3-9H2,1-2H3,(H2,25,39)(H,26,43)(H,27,33)(H,28,34)(H,29,40)(H,30,42)(H,31,41)(H,35,36)(H,37,38)/t10-,12+,13+,14+,15+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair
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	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126118 (CHEMBL3627747) Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C28H25IN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126117 (CHEMBL3627746) Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C28H25BrN4O4/c29-19-13-11-18(12-14-19)26-16-33(32-31-26)15-5-10-25(27(34)35)30-28(36)37-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,30,36)(H,34,35)/t25-/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	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126119 (CHEMBL3627748) Show SMILES COc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C29H28N4O5/c1-37-20-14-12-19(13-15-20)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)38-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/m0/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	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126112 (CHEMBL3627750) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+/m1/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	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126114 (CHEMBL3627743) Show SMILES Cc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C29H28N4O4/c1-19-12-14-20(15-13-19)27-17-33(32-31-27)16-6-11-26(28(34)35)30-29(36)37-18-25-23-9-4-2-7-21(23)22-8-3-5-10-24(22)25/h2-5,7-10,12-15,17,25-26H,6,11,16,18H2,1H3,(H,30,36)(H,34,35)/t26-/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	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126115 (CHEMBL3627744) Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C29H25F3N4O4/c30-29(31,32)19-13-11-18(12-14-19)26-16-36(35-34-26)15-5-10-25(27(37)38)33-28(39)40-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,33,39)(H,37,38)/t25-/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	4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126113 (CHEMBL3627749) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C33H35N5O6/c1-33(2,3)44-32(42)34-22-16-14-21(15-17-22)29-19-38(37-36-29)18-8-13-28(30(39)40)35-31(41)43-20-27-25-11-6-4-9-23(25)24-10-5-7-12-26(24)27/h4-7,9-12,14-17,19,27-28H,8,13,18,20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair