Compile Data Set for Download or QSAR

Found 828 hits with Last Name = 'zhuang' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50300121 ((2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-N-((...) Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)c(F)cc12)C(=O)NCC[C@H](O)CO |r| Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-21-27(17-10-19(30)18(29)11-20(17)32-25(27)37)22(14-5-4-6-15(28)9-14)23(33-21)24(36)31-8-7-16(35)13-34/h4-6,9-11,16,21-23,33-35H,7-8,12-13H2,1-3H3,(H,31,36)(H,32,37)/t16-,21+,22-,23+,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to MDM2				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50519643 (CHEMBL4455611) Show SMILES COc1ccc2N(C)C(=O)[C@H](CCc2c1)NC(=O)c1nc2CC[C@@H](c3ccccc3)n2n1 |r| Show InChI InChI=1S/C24H25N5O3/c1-28-19-11-9-17(32-2)14-16(19)8-10-18(24(28)31)25-23(30)22-26-21-13-12-20(29(21)27-22)15-6-4-3-5-7-15/h3-7,9,11,14,18,20H,8,10,12-13H2,1-2H3,(H,25,30)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human RIPK1				J Med Chem 63: 1490-1510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01317 BindingDB Entry DOI: 10.7270/Q20K2CZB
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420273 (CHEMBL2089208) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2ccc(F)cc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2FN2O3S/c1-32-24(31)21(14-4-8-16(26)9-5-14)29-20(13-2-6-15(25)7-3-13)22(33)28-19-11-10-17(27)12-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					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	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50404376 (CHEMBL5273773) Show SMILES COc1cc2ccc(cc2cc1OC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C24H33N5O7S/c1-35-20-13-16-5-6-18(12-17(16)14-21(20)36-2)37(33,34)28-19(4-3-9-27-24(25)26)22(30)29-10-7-15(8-11-29)23(31)32/h5-6,12-15,19,28H,3-4,7-11H2,1-2H3,(H,31,32)(H4,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.				Citation and Details
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018554 (CHEMBL3290682) Show SMILES C[C@@H](NC1=C(C(N(Cc2cccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C31H26BrN3O2/c1-21(23-10-4-2-5-11-23)34-28-27(30(36)25-12-6-3-7-13-25)29(24-14-16-26(32)17-15-24)35(31(28)37)20-22-9-8-18-33-19-22/h2-19,21,29,34H,20H2,1H3/t21-,29?/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	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018543 (CHEMBL3290677) Show SMILES CC(C)Oc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(N[C@H](C)c2ccccc2)C1=O)c1ccc(Br)cc1)C(F)(F)F |r,t:23| Show InChI InChI=1S/C36H32BrF3N2O3/c1-22(2)45-30-20-28(36(38,39)40)17-14-27(30)21-42-33(25-15-18-29(37)19-16-25)31(34(43)26-12-8-5-9-13-26)32(35(42)44)41-23(3)24-10-6-4-7-11-24/h4-20,22-23,33,41H,21H2,1-3H3/t23-,33?/m1/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	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420268 (CHEMBL2089203) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(ccc2C1=O)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl2F3N2O3S/c1-35-24(34)21(14-4-9-17(27)10-5-14)32-20(13-2-7-16(26)8-3-13)22(36)31-19-12-15(25(28,29)30)6-11-18(19)23(32)33/h2-12,20-21H,1H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					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	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018555 (CHEMBL3290683) Show SMILES C[C@@H](NC1=C(C(N(CCCn2ccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C31H29BrN4O2/c1-22(23-9-4-2-5-10-23)34-28-27(30(37)25-11-6-3-7-12-25)29(24-13-15-26(32)16-14-24)36(31(28)38)19-8-18-35-20-17-33-21-35/h2-7,9-17,20-22,29,34H,8,18-19H2,1H3/t22-,29?/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	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					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	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50519643 (CHEMBL4455611) Show SMILES COc1ccc2N(C)C(=O)[C@H](CCc2c1)NC(=O)c1nc2CC[C@@H](c3ccccc3)n2n1 |r| Show InChI InChI=1S/C24H25N5O3/c1-28-19-11-9-17(32-2)14-16(19)8-10-18(24(28)31)25-23(30)22-26-21-13-12-20(29(21)27-22)15-6-4-3-5-7-15/h3-7,9,11,14,18,20H,8,10,12-13H2,1-2H3,(H,25,30)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of mouse RIPK1				J Med Chem 63: 1490-1510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01317 BindingDB Entry DOI: 10.7270/Q20K2CZB
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018541 (CHEMBL2180122) Show SMILES CC(C)OC1=C(C(N(CCCn2ccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C26H26BrN3O3/c1-18(2)33-25-22(24(31)20-7-4-3-5-8-20)23(19-9-11-21(27)12-10-19)30(26(25)32)15-6-14-29-16-13-28-17-29/h3-5,7-13,16-18,23H,6,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420266 (CHEMBL2089201) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2ccc(Cl)cc2C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H17Cl2FN2O3S/c1-32-24(31)21(14-4-9-17(27)10-5-14)29-20(13-2-6-15(25)7-3-13)22(33)28-19-11-8-16(26)12-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018540 (CHEMBL3290675) Show SMILES CC(C)OC1=C(C(N(Cc2cccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C26H23BrN2O3/c1-17(2)32-25-22(24(30)20-8-4-3-5-9-20)23(19-10-12-21(27)13-11-19)29(26(25)31)16-18-7-6-14-28-15-18/h3-15,17,23H,16H2,1-2H3	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	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420276 (CHEMBL2089211) Show SMILES COC(=O)C(N1C(c2ccc(cc2)C(F)(F)F)C(=S)Nc2cc(Cl)ccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H17Cl2F3N2O3S/c1-35-24(34)21(14-4-8-16(26)9-5-14)32-20(13-2-6-15(7-3-13)25(28,29)30)22(36)31-19-12-17(27)10-11-18(19)23(32)33/h2-12,20-21H,1H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	518	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine kinase 1 (Rattus norvegicus)	BDBM50519643 (CHEMBL4455611) Show SMILES COc1ccc2N(C)C(=O)[C@H](CCc2c1)NC(=O)c1nc2CC[C@@H](c3ccccc3)n2n1 |r| Show InChI InChI=1S/C24H25N5O3/c1-28-19-11-9-17(32-2)14-16(19)8-10-18(24(28)31)25-23(30)22-26-21-13-12-20(29(21)27-22)15-6-4-3-5-7-15/h3-7,9,11,14,18,20H,8,10,12-13H2,1-2H3,(H,25,30)/t18-,20-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	691	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of rat RIPK1				J Med Chem 63: 1490-1510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01317 BindingDB Entry DOI: 10.7270/Q20K2CZB
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420263 (CHEMBL2089152) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(F)ccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl2FN2O3S/c1-32-24(31)21(14-4-8-16(26)9-5-14)29-20(13-2-6-15(25)7-3-13)22(33)28-19-12-17(27)10-11-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	707	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018537 (CHEMBL3290672) Show SMILES COc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(OC(C)C)C1=O)c1ccc(Br)cc1)C(F)(F)F |t:21| Show InChI InChI=1S/C29H25BrF3NO4/c1-17(2)38-27-24(26(35)19-7-5-4-6-8-19)25(18-10-13-22(30)14-11-18)34(28(27)36)16-20-9-12-21(29(31,32)33)15-23(20)37-3/h4-15,17,25H,16H2,1-3H3	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	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018536 (CHEMBL3290671) Show SMILES CCOc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(OC(C)C)C1=O)c1ccc(Br)cc1)C(F)(F)F |t:22| Show InChI InChI=1S/C30H27BrF3NO4/c1-4-38-24-16-22(30(32,33)34)13-10-21(24)17-35-26(19-11-14-23(31)15-12-19)25(28(29(35)37)39-18(2)3)27(36)20-8-6-5-7-9-20/h5-16,18,26H,4,17H2,1-3H3	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	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420262 (CHEMBL2089151) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2ccc(Cl)cc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl3N2O3S/c1-32-24(31)21(14-4-8-16(26)9-5-14)29-20(13-2-6-15(25)7-3-13)22(33)28-19-11-10-17(27)12-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	721	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420274 (CHEMBL2089209) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(F)ccc2C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H17ClF2N2O3S/c1-32-24(31)21(14-4-8-16(26)9-5-14)29-20(13-2-6-15(25)7-3-13)22(33)28-19-12-17(27)10-11-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018534 (CHEMBL3290670) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2OC(C)(C)C)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C32H31BrF3NO4/c1-19(2)40-29-26(28(38)21-9-7-6-8-10-21)27(20-12-15-24(33)16-13-20)37(30(29)39)18-22-11-14-23(32(34,35)36)17-25(22)41-31(3,4)5/h6-17,19,27H,18H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420280 (CHEMBL2089149) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(Cl)ccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl3N2O3S/c1-32-24(31)21(14-4-8-16(26)9-5-14)29-20(13-2-6-15(25)7-3-13)22(33)28-19-12-17(27)10-11-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420265 (CHEMBL2089200) Show SMILES COC(=O)C(N1C(c2ccc(F)cc2)C(=S)Nc2cc(Cl)ccc2C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H17ClF2N2O3S/c1-32-24(31)21(14-4-9-17(27)10-5-14)29-20(13-2-7-16(26)8-3-13)22(33)28-19-12-15(25)6-11-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018539 (CHEMBL3290674) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C28H23BrF3NO3/c1-17(2)36-26-23(25(34)20-6-4-3-5-7-20)24(19-10-14-22(29)15-11-19)33(27(26)35)16-18-8-12-21(13-9-18)28(30,31)32/h3-15,17,24H,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420269 (CHEMBL2089204) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(ccc2C1=O)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C25H17ClF4N2O3S/c1-35-24(34)21(14-4-9-17(27)10-5-14)32-20(13-2-7-16(26)8-3-13)22(36)31-19-12-15(25(28,29)30)6-11-18(19)23(32)33/h2-12,20-21H,1H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018547 (CHEMBL3290678) Show SMILES CCOc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(N[C@H](C)c2ccccc2)C1=O)c1ccc(Br)cc1)C(F)(F)F |r,t:22| Show InChI InChI=1S/C35H30BrF3N2O3/c1-3-44-29-20-27(35(37,38)39)17-14-26(29)21-41-32(24-15-18-28(36)19-16-24)30(33(42)25-12-8-5-9-13-25)31(34(41)43)40-22(2)23-10-6-4-7-11-23/h4-20,22,32,40H,3,21H2,1-2H3/t22-,32?/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	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420275 (CHEMBL2089210) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(Br)ccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17BrCl2N2O3S/c1-32-24(31)21(14-4-9-17(27)10-5-14)29-20(13-2-7-16(26)8-3-13)22(33)28-19-12-15(25)6-11-18(19)23(29)30/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420279 (CHEMBL1909836) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(NCc3ccc(cc3)C(F)(F)F)ccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H24Cl2F3N3O3S/c1-43-31(42)28(20-6-12-23(34)13-7-20)40-27(19-4-10-22(33)11-5-19)29(44)39-26-16-24(14-15-25(26)30(40)41)38-17-18-2-8-21(9-3-18)32(35,36)37/h2-16,27-28,38H,17H2,1H3,(H,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420267 (CHEMBL2089202) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2c(OC)cccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O4S/c1-32-19-5-3-4-18-20(19)28-23(34)21(14-6-10-16(26)11-7-14)29(24(18)30)22(25(31)33-2)15-8-12-17(27)13-9-15/h3-13,21-22H,1-2H3,(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018542 (CHEMBL3290676) Show SMILES C[C@@H](NC1=C(C(N(Cc2ccc(cc2OC(C)(C)C)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C37H34BrF3N2O3/c1-23(24-11-7-5-8-12-24)42-32-31(34(44)26-13-9-6-10-14-26)33(25-16-19-29(38)20-17-25)43(35(32)45)22-27-15-18-28(37(39,40)41)21-30(27)46-36(2,3)4/h5-21,23,33,42H,22H2,1-4H3/t23-,33?/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	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420277 (CHEMBL2089320) Show SMILES COC(=O)C(N1C(c2ccc(OC)cc2)C(=S)Nc2cc(Cl)ccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O4S/c1-32-18-10-5-14(6-11-18)21-23(34)28-20-13-17(27)9-12-19(20)24(30)29(21)22(25(31)33-2)15-3-7-16(26)8-4-15/h3-13,21-22H,1-2H3,(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50268461 (CHEMBL4098715) Show SMILES CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1 Show InChI InChI=1S/C30H32O10/c1-4-7-16-10-19(31)13-22(32)26(16)29(37)40-21-12-18(9-6-3)27(24(34)15-21)30(38)39-20-11-17(8-5-2)25(28(35)36)23(33)14-20/h10-15,31-34H,4-9H2,1-3H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Life Science, Biotechnology, Dalian University of Technology, Dalian, Liaoning 116024, China. Curated by ChEMBL					Assay Description Competitive inhibition of PTP1B (unknown origin) at 0.1 to 0.4 uM using p-nitrophenyl phosphate substrate incubated for 30 mins by Lineweaver-Burk do...				Bioorg Med Chem Lett 27: 3382-3385 (2017) Article DOI: 10.1016/j.bmcl.2017.06.001 BindingDB Entry DOI: 10.7270/Q2G1639V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420278 (CHEMBL2089322) Show SMILES CCOC(=O)CSC1=Nc2cc(OC)ccc2C(=O)N(C(C(=O)OC)c2ccc(Cl)cc2)C1c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C29H26Cl2N2O6S/c1-4-39-24(34)16-40-27-25(17-5-9-19(30)10-6-17)33(26(29(36)38-3)18-7-11-20(31)12-8-18)28(35)22-14-13-21(37-2)15-23(22)32-27/h5-15,25-26H,4,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018552 (CHEMBL3290681) Show SMILES C[C@@H](NC1=C(C(N(Cc2ccc(cc2)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C33H26BrF3N2O2/c1-21(23-8-4-2-5-9-23)38-29-28(31(40)25-10-6-3-7-11-25)30(24-14-18-27(34)19-15-24)39(32(29)41)20-22-12-16-26(17-13-22)33(35,36)37/h2-19,21,30,38H,20H2,1H3/t21-,30?/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	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420272 (CHEMBL2089207) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2ccc(C)cc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O3S/c1-14-3-12-20-19(13-14)24(30)29(21(23(33)28-20)15-4-8-17(26)9-5-15)22(25(31)32-2)16-6-10-18(27)11-7-16/h3-13,21-22H,1-2H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420261 (CHEMBL2089150) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2c(Cl)cccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H17Cl3N2O3S/c1-32-24(31)21(14-7-11-16(26)12-8-14)29-20(13-5-9-15(25)10-6-13)22(33)28-19-17(23(29)30)3-2-4-18(19)27/h2-12,20-21H,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420264 (CHEMBL2089153) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(F)c(F)cc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H16Cl2F2N2O3S/c1-33-24(32)21(13-4-8-15(26)9-5-13)30-20(12-2-6-14(25)7-3-12)22(34)29-19-11-18(28)17(27)10-16(19)23(30)31/h2-11,20-21H,1H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018538 (CHEMBL3290673) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2F)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C28H22BrF4NO3/c1-16(2)37-26-23(25(35)18-6-4-3-5-7-18)24(17-9-12-21(29)13-10-17)34(27(26)36)15-19-8-11-20(14-22(19)30)28(31,32)33/h3-14,16,24H,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018535 (CHEMBL3290669) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2OC(C)C)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C31H29BrF3NO4/c1-18(2)39-25-16-23(31(33,34)35)13-10-22(25)17-36-27(20-11-14-24(32)15-12-20)26(29(30(36)38)40-19(3)4)28(37)21-8-6-5-7-9-21/h5-16,18-19,27H,17H2,1-4H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420270 (CHEMBL2089205) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(OC)ccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O4S/c1-32-18-11-12-19-20(13-18)28-23(34)21(14-3-7-16(26)8-4-14)29(24(19)30)22(25(31)33-2)15-5-9-17(27)10-6-15/h3-13,21-22H,1-2H3,(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018548 (CHEMBL3290679) Show SMILES COc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(N[C@H](C)c2ccccc2)C1=O)c1ccc(Br)cc1)C(F)(F)F |r,t:21| Show InChI InChI=1S/C34H28BrF3N2O3/c1-21(22-9-5-3-6-10-22)39-30-29(32(41)24-11-7-4-8-12-24)31(23-14-17-27(35)18-15-23)40(33(30)42)20-25-13-16-26(34(36,37)38)19-28(25)43-2/h3-19,21,31,39H,20H2,1-2H3/t21-,31?/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420271 (CHEMBL2089206) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2c(C)cccc2C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O3S/c1-14-4-3-5-19-20(14)28-23(33)21(15-6-10-17(26)11-7-15)29(24(19)30)22(25(31)32-2)16-8-12-18(27)13-9-16/h3-13,21-22H,1-2H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018549 (CHEMBL3290680) Show SMILES C[C@@H](NC1=C(C(N(Cc2ccc(cc2F)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C33H25BrF4N2O2/c1-20(21-8-4-2-5-9-21)39-29-28(31(41)23-10-6-3-7-11-23)30(22-13-16-26(34)17-14-22)40(32(29)42)19-24-12-15-25(18-27(24)35)33(36,37)38/h2-18,20,30,39H,19H2,1H3/t20-,30?/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50420260 (CHEMBL2089321) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(SC)=Nc2cc(Cl)ccc2C1=O)c1ccc(Cl)cc1 |c:17| Show InChI InChI=1S/C25H19Cl3N2O3S/c1-33-25(32)22(15-5-9-17(27)10-6-15)30-21(14-3-7-16(26)8-4-14)23(34-2)29-20-13-18(28)11-12-19(20)24(30)31/h3-13,21-22H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50519649 (CHEMBL4439913) Show SMILES CNC(=O)c1ccc2n(cnc2c1)-c1ccc(CC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C21H23N3O3/c1-21(2,3)27-19(25)11-14-5-8-16(9-6-14)24-13-23-17-12-15(20(26)22-4)7-10-18(17)24/h5-10,12-13H,11H2,1-4H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human RIPK1 by ADP-Glo assay				J Med Chem 63: 1490-1510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01317 BindingDB Entry DOI: 10.7270/Q20K2CZB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00216g BindingDB Entry DOI: 10.7270/Q2DF6W53
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250082 (US9447106, 27b (peak 2) | US9556188, Compound 27a) Show SMILES NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00216g BindingDB Entry DOI: 10.7270/Q2DF6W53
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50519649 (CHEMBL4439913) Show SMILES CNC(=O)c1ccc2n(cnc2c1)-c1ccc(CC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C21H23N3O3/c1-21(2,3)27-19(25)11-14-5-8-16(9-6-14)24-13-23-17-12-15(20(26)22-4)7-10-18(17)24/h5-10,12-13H,11H2,1-4H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of GSK657 binding to human RIPK1 (1 to 328) by fluorescence Polarization assay				J Med Chem 63: 1490-1510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01317 BindingDB Entry DOI: 10.7270/Q20K2CZB
					More data for this Ligand-Target Pair

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