Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50006561   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500861 (CHEMBL3799491) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C34H31N3O6/c1-4-41-26-16-10-23(11-17-26)32-30(35-33(38)24-12-18-28(19-13-24)42-22(2)3)31(34(39)40)36-37(32)25-14-20-29(21-15-25)43-27-8-6-5-7-9-27/h5-22H,4H2,1-3H3,(H,35,38)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500874 (CHEMBL3798634) Show SMILES CC(C)c1ccc2c(c1)n(C(=O)c1ccc(cc1)C(C)(C)C)c1c(O)c(O)c(O)cc1\c2=N\c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C39H36N2O5/c1-23(2)25-13-20-30-32(21-25)41(38(45)24-11-14-26(15-12-24)39(3,4)5)35-31(22-33(42)36(43)37(35)44)34(30)40-27-16-18-29(19-17-27)46-28-9-7-6-8-10-28/h6-23,42-44H,1-5H3/b40-34+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					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	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500874 (CHEMBL3798634) Show SMILES CC(C)c1ccc2c(c1)n(C(=O)c1ccc(cc1)C(C)(C)C)c1c(O)c(O)c(O)cc1\c2=N\c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C39H36N2O5/c1-23(2)25-13-20-30-32(21-25)41(38(45)24-11-14-26(15-12-24)39(3,4)5)35-31(22-33(42)36(43)37(35)44)34(30)40-27-16-18-29(19-17-27)46-28-9-7-6-8-10-28/h6-23,42-44H,1-5H3/b40-34+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500861 (CHEMBL3799491) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C34H31N3O6/c1-4-41-26-16-10-23(11-17-26)32-30(35-33(38)24-12-18-28(19-13-24)42-22(2)3)31(34(39)40)36-37(32)25-14-20-29(21-15-25)43-27-8-6-5-7-9-27/h5-22H,4H2,1-3H3,(H,35,38)(H,39,40)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500873 (CHEMBL3798644) Show SMILES Cc1ccc(cc1)\N=c1/c2ccc(C)cc2n(C(=O)c2ccc(cc2)C(C)(C)C)c2c(O)c(O)c(O)cc12 Show InChI InChI=1S/C32H30N2O4/c1-18-6-13-22(14-7-18)33-27-23-15-8-19(2)16-25(23)34(28-24(27)17-26(35)29(36)30(28)37)31(38)20-9-11-21(12-10-20)32(3,4)5/h6-17,35-37H,1-5H3/b33-27+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500866 (CHEMBL3799930) Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccc(OCc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C26H24N2O3/c1-18(2)20-8-12-22(13-9-20)28-25(16-24(27-28)26(29)30)21-10-14-23(15-11-21)31-17-19-6-4-3-5-7-19/h3-16,18H,17H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500873 (CHEMBL3798644) Show SMILES Cc1ccc(cc1)\N=c1/c2ccc(C)cc2n(C(=O)c2ccc(cc2)C(C)(C)C)c2c(O)c(O)c(O)cc12 Show InChI InChI=1S/C32H30N2O4/c1-18-6-13-22(14-7-18)33-27-23-15-8-19(2)16-25(23)34(28-24(27)17-26(35)29(36)30(28)37)31(38)20-9-11-21(12-10-20)32(3,4)5/h6-17,35-37H,1-5H3/b33-27+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500861 (CHEMBL3799491) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C34H31N3O6/c1-4-41-26-16-10-23(11-17-26)32-30(35-33(38)24-12-18-28(19-13-24)42-22(2)3)31(34(39)40)36-37(32)25-14-20-29(21-15-25)43-27-8-6-5-7-9-27/h5-22H,4H2,1-3H3,(H,35,38)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	301	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500857 (CHEMBL3799627) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C25H22N2O4/c1-17(2)30-21-12-8-18(9-13-21)24-16-23(25(28)29)26-27(24)19-10-14-22(15-11-19)31-20-6-4-3-5-7-20/h3-17H,1-2H3,(H,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	371	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500866 (CHEMBL3799930) Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccc(OCc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C26H24N2O3/c1-18(2)20-8-12-22(13-9-20)28-25(16-24(27-28)26(29)30)21-10-14-23(15-11-21)31-17-19-6-4-3-5-7-19/h3-16,18H,17H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500863 (CHEMBL3797344) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-4-42-27-16-10-24(11-17-27)33-31(36-34(39)25-12-18-28(19-13-25)43-22-23(2)3)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-29-8-6-5-7-9-29/h5-21,23H,4,22H2,1-3H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	393	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500867 (CHEMBL3800181) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(cc2)C(C)(C)C)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O5/c1-5-42-27-19-13-23(14-20-27)32-30(36-33(39)24-11-15-25(16-12-24)35(2,3)4)31(34(40)41)37-38(32)26-17-21-29(22-18-26)43-28-9-7-6-8-10-28/h6-22H,5H2,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500867 (CHEMBL3800181) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(cc2)C(C)(C)C)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O5/c1-5-42-27-19-13-23(14-20-27)32-30(36-33(39)24-11-15-25(16-12-24)35(2,3)4)31(34(40)41)37-38(32)26-17-21-29(22-18-26)43-28-9-7-6-8-10-28/h6-22H,5H2,1-4H3,(H,36,39)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	406	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500859 (CHEMBL3798676) Show SMILES CC(C)COc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C36H35N3O6/c1-23(2)22-43-28-16-12-26(13-17-28)35(40)37-32-33(36(41)42)38-39(34(32)25-10-18-30(19-11-25)44-24(3)4)27-14-20-31(21-15-27)45-29-8-6-5-7-9-29/h5-21,23-24H,22H2,1-4H3,(H,37,40)(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	431	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500863 (CHEMBL3797344) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-4-42-27-16-10-24(11-17-27)33-31(36-34(39)25-12-18-28(19-13-25)43-22-23(2)3)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-29-8-6-5-7-9-29/h5-21,23H,4,22H2,1-3H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	446	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500868 (CHEMBL3798160) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C24H20N2O4/c1-2-29-19-12-8-17(9-13-19)23-16-22(24(27)28)25-26(23)18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-16H,2H2,1H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	451	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500866 (CHEMBL3799930) Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccc(OCc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C26H24N2O3/c1-18(2)20-8-12-22(13-9-20)28-25(16-24(27-28)26(29)30)21-10-14-23(15-11-21)31-17-19-6-4-3-5-7-19/h3-16,18H,17H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	616	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500865 (CHEMBL3799456) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccccc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C31H25N3O5/c1-2-38-24-17-13-21(14-18-24)29-27(32-30(35)22-9-5-3-6-10-22)28(31(36)37)33-34(29)23-15-19-26(20-16-23)39-25-11-7-4-8-12-25/h3-20H,2H2,1H3,(H,32,35)(H,36,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	635	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500867 (CHEMBL3800181) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(cc2)C(C)(C)C)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O5/c1-5-42-27-19-13-23(14-20-27)32-30(36-33(39)24-11-15-25(16-12-24)35(2,3)4)31(34(40)41)37-38(32)26-17-21-29(22-18-26)43-28-9-7-6-8-10-28/h6-22H,5H2,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	689	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500868 (CHEMBL3798160) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C24H20N2O4/c1-2-29-19-12-8-17(9-13-19)23-16-22(24(27)28)25-26(23)18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-16H,2H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	694	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500857 (CHEMBL3799627) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C25H22N2O4/c1-17(2)30-21-12-8-18(9-13-21)24-16-23(25(28)29)26-27(24)19-10-14-22(15-11-19)31-20-6-4-3-5-7-20/h3-17H,1-2H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	712	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500859 (CHEMBL3798676) Show SMILES CC(C)COc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C36H35N3O6/c1-23(2)22-43-28-16-12-26(13-17-28)35(40)37-32-33(36(41)42)38-39(34(32)25-10-18-30(19-11-25)44-24(3)4)27-14-20-31(21-15-27)45-29-8-6-5-7-9-29/h5-21,23-24H,22H2,1-4H3,(H,37,40)(H,41,42)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	722	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500865 (CHEMBL3799456) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccccc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C31H25N3O5/c1-2-38-24-17-13-21(14-18-24)29-27(32-30(35)22-9-5-3-6-10-22)28(31(36)37)33-34(29)23-15-19-26(20-16-23)39-25-11-7-4-8-12-25/h3-20H,2H2,1H3,(H,32,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	855	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500857 (CHEMBL3799627) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C25H22N2O4/c1-17(2)30-21-12-8-18(9-13-21)24-16-23(25(28)29)26-27(24)19-10-14-22(15-11-19)31-20-6-4-3-5-7-20/h3-17H,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	932	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500868 (CHEMBL3798160) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C24H20N2O4/c1-2-29-19-12-8-17(9-13-19)23-16-22(24(27)28)25-26(23)18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-16H,2H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500863 (CHEMBL3797344) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-4-42-27-16-10-24(11-17-27)33-31(36-34(39)25-12-18-28(19-13-25)43-22-23(2)3)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-29-8-6-5-7-9-29/h5-21,23H,4,22H2,1-3H3,(H,36,39)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500865 (CHEMBL3799456) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccccc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C31H25N3O5/c1-2-38-24-17-13-21(14-18-24)29-27(32-30(35)22-9-5-3-6-10-22)28(31(36)37)33-34(29)23-15-19-26(20-16-23)39-25-11-7-4-8-12-25/h3-20H,2H2,1H3,(H,32,35)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500859 (CHEMBL3798676) Show SMILES CC(C)COc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C36H35N3O6/c1-23(2)22-43-28-16-12-26(13-17-28)35(40)37-32-33(36(41)42)38-39(34(32)25-10-18-30(19-11-25)44-24(3)4)27-14-20-31(21-15-27)45-29-8-6-5-7-9-29/h5-21,23-24H,22H2,1-4H3,(H,37,40)(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500862 (CHEMBL3798048) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(C)C)C(O)=O Show InChI InChI=1S/C22H24N2O3/c1-14(2)16-5-9-18(10-6-16)24-21(13-20(23-24)22(25)26)17-7-11-19(12-8-17)27-15(3)4/h5-15H,1-4H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500856 (CHEMBL3797361) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(cc1)C(C)C)C(O)=O Show InChI InChI=1S/C36H35N3O5/c1-23(2)26-10-16-29(17-11-26)39-34(27-12-18-30(19-13-27)43-22-25-8-6-5-7-9-25)32(33(38-39)36(41)42)37-35(40)28-14-20-31(21-15-28)44-24(3)4/h5-21,23-24H,22H2,1-4H3,(H,37,40)(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500871 (CHEMBL3799056) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C19H18N2O3/c1-13(2)24-16-10-8-14(9-11-16)18-12-17(19(22)23)20-21(18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500862 (CHEMBL3798048) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(C)C)C(O)=O Show InChI InChI=1S/C22H24N2O3/c1-14(2)16-5-9-18(10-6-16)24-21(13-20(23-24)22(25)26)17-7-11-19(12-8-17)27-15(3)4/h5-15H,1-4H3,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500856 (CHEMBL3797361) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(cc1)C(C)C)C(O)=O Show InChI InChI=1S/C36H35N3O5/c1-23(2)26-10-16-29(17-11-26)39-34(27-12-18-30(19-13-27)43-22-25-8-6-5-7-9-25)32(33(38-39)36(41)42)37-35(40)28-14-20-31(21-15-28)44-24(3)4/h5-21,23-24H,22H2,1-4H3,(H,37,40)(H,41,42)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500858 (CHEMBL3800016) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C18H16N2O3/c1-2-23-15-10-8-13(9-11-15)17-12-16(18(21)22)19-20(17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500871 (CHEMBL3799056) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C19H18N2O3/c1-13(2)24-16-10-8-14(9-11-16)18-12-17(19(22)23)20-21(18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500858 (CHEMBL3800016) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C18H16N2O3/c1-2-23-15-10-8-13(9-11-15)17-12-16(18(21)22)19-20(17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500864 (CHEMBL3798424) Show SMILES COC(=O)c1nn(c(c1NC(=O)c1ccc(OC(C)C)cc1)-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C36H35N3O6/c1-23(2)43-29-17-11-25(12-18-29)34-32(37-35(40)26-13-19-30(20-14-26)44-24(3)4)33(36(41)42-5)38-39(34)27-15-21-31(22-16-27)45-28-9-7-6-8-10-28/h6-24H,1-5H3,(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500872 (CHEMBL3798868) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C39H33N3O6/c1-26(2)47-33-21-15-29(16-22-33)38(43)40-35-36(39(44)45)41-42(30-17-23-34(24-18-30)48-32-11-7-4-8-12-32)37(35)28-13-19-31(20-14-28)46-25-27-9-5-3-6-10-27/h3-24,26H,25H2,1-2H3,(H,40,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500864 (CHEMBL3798424) Show SMILES COC(=O)c1nn(c(c1NC(=O)c1ccc(OC(C)C)cc1)-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C36H35N3O6/c1-23(2)43-29-17-11-25(12-18-29)34-32(37-35(40)26-13-19-30(20-14-26)44-24(3)4)33(36(41)42-5)38-39(34)27-15-21-31(22-16-27)45-28-9-7-6-8-10-28/h6-24H,1-5H3,(H,37,40)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500864 (CHEMBL3798424) Show SMILES COC(=O)c1nn(c(c1NC(=O)c1ccc(OC(C)C)cc1)-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C36H35N3O6/c1-23(2)43-29-17-11-25(12-18-29)34-32(37-35(40)26-13-19-30(20-14-26)44-24(3)4)33(36(41)42-5)38-39(34)27-15-21-31(22-16-27)45-28-9-7-6-8-10-28/h6-24H,1-5H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500862 (CHEMBL3798048) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(C)C)C(O)=O Show InChI InChI=1S/C22H24N2O3/c1-14(2)16-5-9-18(10-6-16)24-21(13-20(23-24)22(25)26)17-7-11-19(12-8-17)27-15(3)4/h5-15H,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500858 (CHEMBL3800016) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C18H16N2O3/c1-2-23-15-10-8-13(9-11-15)17-12-16(18(21)22)19-20(17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500871 (CHEMBL3799056) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C19H18N2O3/c1-13(2)24-16-10-8-14(9-11-16)18-12-17(19(22)23)20-21(18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50500870 (CHEMBL3800356) Show SMILES CC(C)COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H20N2O3/c1-14(2)13-25-17-10-8-15(9-11-17)19-12-18(20(23)24)21-22(19)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair

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