Compile Data Set for Download or QSAR

Found 29 hits of kd for UniProtKB: P04637   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50403663 (CHEMBL4164612) Show SMILES CCCCOc1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C25H24ClNO7S2/c1-35(31,32)22-7-3-19(4-8-22)25(30)20-15-17(2-11-24(28)29)14-18(16-20)12-13-27-36(33,34)23-9-5-21(26)6-10-23/h3-10,14-16,27H,2,11-13H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to 15N-labeled T-p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C41 by HSQC...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50590178 (CHEMBL5183297) Show SMILES Nc1n[nH]c(c1Br)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00246a BindingDB Entry DOI: 10.7270/Q2NZ8CMT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50403665 (CHEMBL1235116) Show SMILES CCn1c2ccccc2c2cc(CNC)ccc12 Show InChI InChI=1S/C24H24ClNO4S/c25-22-7-9-23(10-8-22)31(29,30)26-13-12-20-15-19(6-11-24(27)28)16-21(17-20)14-18-4-2-1-3-5-18/h1-5,7-10,15-17,26H,6,11-14H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to p53 Y220C mutant (unknown origin)				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50403666 (CHEMBL4160358) Show SMILES OC(=O)c1cc(-c2ccccc2)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C24H23ClFNO5S/c25-20-4-8-22(9-5-20)33(31,32)27-12-11-17-13-16(1-10-23(28)29)14-19(15-17)24(30)18-2-6-21(26)7-3-18/h2-9,13-15,24,27,30H,1,10-12H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.06E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404068 (CHEMBL4175464) Show SMILES CN(C)Cc1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C24H23N3O5/c28-24-26(14-15-31-24)22(7-4-18-10-12-25-13-11-18)17-32-23-8-5-19(6-9-23)20-2-1-3-21(16-20)27(29)30/h1-3,5-6,8-13,16,22H,4,7,14-15,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404069 (CHEMBL4161418) Show SMILES ONC(=O)c1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C25H24N2O3/c28-24-12-13-25(29)27(24)22(9-6-19-14-16-26-17-15-19)18-30-23-10-7-21(8-11-23)20-4-2-1-3-5-20/h1-5,7-8,10-11,14-17,22H,6,9,12-13,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404075 (CHEMBL4176523) Show SMILES CNC(=O)c1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C20H25N3O/c24-19(22-17-1-2-18-16(8-17)12-21-23-18)3-4-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,12-15H,3-7,9-11H2,(H,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404078 (CHEMBL4172014) Show SMILES OCc1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C19H25NO2/c1-22-17-5-3-2-4-16(17)18(21)20-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to 15N-labeled T-p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C41 by HSQC...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404079 (CHEMBL4165245) Show SMILES OC(=O)c1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C18H22ClNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to p53 Y220C mutant (unknown origin)				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404080 (CHEMBL1232243) Show SMILES OC(=O)c1cc(I)cc(I)c1O Show InChI InChI=1S/C20H25N3O/c24-19(22-17-2-1-16-12-21-23-18(16)8-17)3-4-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,12-15H,3-7,9-11H2,(H,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.20E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to p53 Y220C mutant (unknown origin)				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50403663 (CHEMBL4164612) Show SMILES CCCCOc1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C25H24ClNO7S2/c1-35(31,32)22-7-3-19(4-8-22)25(30)20-15-17(2-11-24(28)29)14-18(16-20)12-13-27-36(33,34)23-9-5-21(26)6-10-23/h3-10,14-16,27H,2,11-13H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404081 (CHEMBL4168439) Show SMILES CCCSc1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C19H25NO/c1-13-4-2-3-5-17(13)18(21)20-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404082 (CHEMBL4176302) Show SMILES CC(C)COc1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C18H21Cl2NO/c19-14-2-1-3-15(20)16(14)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404083 (CHEMBL4171798) Show SMILES OC(=O)c1cc(OCCc2ccccc2)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C18H22ClNO2/c19-16-2-1-14(21)6-15(16)17(22)20-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,21H,3-5,7-10H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404084 (CHEMBL4161192) Show SMILES OCCOc1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C21H26N2OS/c1-13-22-18-3-2-17(9-19(18)25-13)23-20(24)4-5-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.26E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404087 (CHEMBL4175243) Show SMILES OC(=O)c1cc(OCCC(F)(F)F)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C18H23ClN2O/c19-16-14(2-1-3-15(16)20)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404088 (CHEMBL4160123) Show SMILES OC(=O)c1cc(OCC=C)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C18H23ClN2O/c19-16-2-1-14(20)6-15(16)17(22)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10,20H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404092 (CHEMBL4168045) Show SMILES CCCOc1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C18H22BrNO/c19-16-4-2-1-3-15(16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404093 (CHEMBL4163490) Show SMILES CCOc1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C19H24ClNO2/c1-23-15-2-3-16(20)17(7-15)21-18(22)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404095 (CHEMBL4171387) Show SMILES COc1ccc(cc1)-c1cc(C(O)=O)c(O)c(I)c1-n1cccc1 Show InChI InChI=1S/C18H23NO/c20-17(16-4-2-1-3-5-16)19-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404096 (CHEMBL4170894) Show SMILES CCN(CC)C1CCN(Cc2cc(cc(I)c2O)C#CCNc2ccccc2)CC1 Show InChI InChI=1S/C18H23ClN2O/c19-14-2-1-3-15(20)16(14)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10,20H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to p53 Y220C mutant (unknown origin)				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404456 (CHEMBL4168268) Show SMILES OC(=O)c1cc(-c2ccc(F)cc2)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C30H41N7O7/c1-17(29(42)37-14-6-10-24(37)30(43)44)33-28(41)23(15-18-16-32-20-8-3-2-7-19(18)20)36-26(39)21(9-4-5-13-31)35-27(40)22-11-12-25(38)34-22/h2-3,7-8,16-17,21-24,32H,4-6,9-15,31H2,1H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,43,44)/t17-,21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404457 (CHEMBL4164831) Show SMILES Ic1cc2c([nH][nH]c2=O)c(I)c1-n1cccc1 Show InChI InChI=1S/C16H21N3O4/c17-12(9-11-5-2-1-3-6-11)15(21)18-10-14(20)19-8-4-7-13(19)16(22)23/h1-3,5-6,12-13H,4,7-10,17H2,(H,18,21)(H,22,23)/t12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404458 (CHEMBL4162051) Show SMILES CCN(CC)c1nc2c(C(O)=O)c(O)c(I)c(-n3cccc3)c2s1 Show InChI InChI=1S/C53H76N14O12/c1-3-29(2)43(51(77)66-25-9-16-39(66)50(76)67-26-10-17-40(67)52(78)79)63-45(71)34(18-20-41(54)68)60-46(72)37-14-7-23-64(37)48(74)35(13-6-22-57-53(55)56)61-47(73)38-15-8-24-65(38)49(75)36(62-44(70)33-19-21-42(69)59-33)27-30-28-58-32-12-5-4-11-31(30)32/h4-5,11-12,28-29,33-40,43,58H,3,6-10,13-27H2,1-2H3,(H2,54,68)(H,59,69)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,78,79)(H4,55,56,57)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404079 (CHEMBL4165245) Show SMILES OC(=O)c1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C18H22ClNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50485897 (CHEMBL1390581) Show SMILES CCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CCC(=O)N3)ccc12 Show InChI InChI=1S/C21H21N3O4/c1-2-24-17-6-4-3-5-14(17)15-11-13(7-9-18(15)24)22-20(26)12-28-21(27)16-8-10-19(25)23-16/h3-7,9,11,16H,2,8,10,12H2,1H3,(H,22,26)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to p53 Y220C mutant by NMR spectroscopy				J Med Chem 55: 10823-43 (2012) Article DOI: 10.1021/jm301182j BindingDB Entry DOI: 10.7270/Q2QJ7M50
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50403665 (CHEMBL1235116) Show SMILES CCn1c2ccccc2c2cc(CNC)ccc12 Show InChI InChI=1S/C24H24ClNO4S/c25-22-7-9-23(10-8-22)31(29,30)26-13-12-20-15-19(6-11-24(27)28)16-21(17-20)14-18-4-2-1-3-5-18/h1-5,7-10,15-17,26H,6,11-14H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to p53 Y220C mutant by NMR spectroscopy				J Med Chem 55: 10823-43 (2012) Article DOI: 10.1021/jm301182j BindingDB Entry DOI: 10.7270/Q2QJ7M50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50485898 (CHEMBL2180125) Show SMILES N\N=C1/CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C12H12ClN3/c13-7-4-5-10-9(6-7)8-2-1-3-11(16-14)12(8)15-10/h4-6,15H,1-3,14H2/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to p53 Y220C mutant by NMR spectroscopy				J Med Chem 55: 10823-43 (2012) Article DOI: 10.1021/jm301182j BindingDB Entry DOI: 10.7270/Q2QJ7M50
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50403664 (CHEMBL4168664) Show SMILES CN1CCN(CC1)C(=O)c1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C25H26ClNO6S2/c1-34(30,31)23-7-2-18(3-8-23)14-21-16-19(4-11-25(28)29)15-20(17-21)12-13-27-35(32,33)24-9-5-22(26)6-10-24/h2-3,5-10,15-17,27H,4,11-14H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)