Compile Data Set for Download or QSAR

Found 963 hits with Last Name = 'cano' 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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300767 (CHEMBL570566 | {[(9Z)-octadec-9-en-1-yl]sulfamoyl}...) Show SMILES CCCCCCCC\C=C/CCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h9-10,20H,2-8,11-18H2,1H3,(H2,19,21,22)/b10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300765 (CHEMBL583108 | N-(cis-5-cis-8-cis-11-cis-14-eicosa...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C23H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(26,27)24-22-4-2/h8-9,11-12,14-15,17-18,24-25H,3-7,10,13,16,19-23H2,1-2H3/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300770 (CHEMBL568489 | N-(cis-5-cis-8-cis-11-cis-14-eicosa...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCNS(N)(=O)=O Show InChI InChI=1S/C20H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(21,23)24/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-20H2,1H3,(H2,21,23,24)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300769 (CHEMBL374746 | N-(1-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14-15H,2-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM12915 (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...) Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Competitive inhibition of DNA-PK (unknown origin) in the presence of ATP				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300771 (CHEMBL570988 | N-(cis-9-cis-12-octadecadienyl)sulf...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h6-7,9-10,20H,2-5,8,11-18H2,1H3,(H2,19,21,22)/b7-6-,10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202584 (CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300766 (CHEMBL569658 | N-(cis-9-cis-12-octadecadienyl)-N'-...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h8-9,11-12,22-23H,3-7,10,13-21H2,1-2H3/b9-8-,12-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300769 (CHEMBL374746 | N-(1-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14-15H,2-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202583 (CHEMBL219156 | N-octadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202583 (CHEMBL219156 | N-octadecyl-N'-propylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300768 (CHEMBL437157 | N-(1-(1-adamantyl)ethyl)-N'-propyls...) Show SMILES CCCNS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C15H28N2O2S/c1-3-4-16-20(18,19)17-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16-17H,3-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202579 (CHEMBL218794 | N-octadecylsulfamide) Show SMILES CCCCCCCCCCCCCCCCCCNS(N)(=O)=O Show InChI InChI=1S/C18H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h20H,2-18H2,1H3,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50202584 (CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide) Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)| Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300764 (CHEMBL571044 | N-oleyl-N'-propylsulfamide) Show SMILES CCCCCCCC\C=C/CCCCCCCCNS(=O)(=O)NCCC Show InChI InChI=1S/C21H44N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h11-12,22-23H,3-10,13-21H2,1-2H3/b12-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50300768 (CHEMBL437157 | N-(1-(1-adamantyl)ethyl)-N'-propyls...) Show SMILES CCCNS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C15H28N2O2S/c1-3-4-16-20(18,19)17-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16-17H,3-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting				Eur J Med Chem 44: 4889-95 (2009) Article DOI: 10.1016/j.ejmech.2009.08.003 BindingDB Entry DOI: 10.7270/Q2PR7W2Q
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50319926 (2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...) Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of PI-3K delta (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427143 (1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...) Show SMILES C[C@@](O)(C1CCOCC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H35Cl2FN2O7S/c1-32(42,21-9-13-45-14-10-21)23-15-26-29(27(37)16-23)34(22-4-7-24(35)8-5-22,46-19-33(11-12-33)31(38)41)39(30(26)40)18-20-3-6-25(36)17-28(20)47(2,43)44/h3-8,15-17,21,42H,9-14,18-19H2,1-2H3,(H2,38,41)/t32-,34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427143 (1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...) Show SMILES C[C@@](O)(C1CCOCC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H35Cl2FN2O7S/c1-32(42,21-9-13-45-14-10-21)23-15-26-29(27(37)16-23)34(22-4-7-24(35)8-5-22,46-19-33(11-12-33)31(38)41)39(30(26)40)18-20-3-6-25(36)17-28(20)47(2,43)44/h3-8,15-17,21,42H,9-14,18-19H2,1-2H3,(H2,38,41)/t32-,34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427127 (1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...) Show SMILES Cn1cc(cn1)[C@](C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H31Cl2FN4O6S/c1-31(43,22-15-38-39(2)17-22)21-12-25-28(26(36)13-21)33(20-5-8-23(34)9-6-20,46-18-32(10-11-32)30(37)42)40(29(25)41)16-19-4-7-24(35)14-27(19)47(3,44)45/h4-9,12-15,17,43H,10-11,16,18H2,1-3H3,(H2,37,42)/t31-,33-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50319926 (2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...) Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of PI-3K beta (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427127 (1-({[(1R)-2-[(4-chloro-2-methanesulfonylphenyl)met...) Show SMILES Cn1cc(cn1)[C@](C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CC3)C(N)=O)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H31Cl2FN4O6S/c1-31(43,22-15-38-39(2)17-22)21-12-25-28(26(36)13-21)33(20-5-8-23(34)9-6-20,46-18-32(10-11-32)30(37)42)40(29(25)41)16-19-4-7-24(35)14-27(19)47(3,44)45/h4-9,12-15,17,43H,10-11,16,18H2,1-3H3,(H2,37,42)/t31-,33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
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
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)
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427195 (US10544132, Example 136 | US10981898, Example 137 ...) Show SMILES CC[C@](O)(C1CCN(CCC(=O)OC)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H37Cl2FN2O5/c1-4-33(42,23-13-16-38(17-14-23)18-15-30(40)43-2)25-19-28-31(29(37)20-25)34(44-3,24-7-11-27(36)12-8-24)39(32(28)41)21-22-5-9-26(35)10-6-22/h5-12,19-20,23,42H,4,13-18,21H2,1-3H3/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427196 (US10544132, Example 137) Show SMILES CC[C@](O)(C1CCN(CCC(O)=O)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)C(OC)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H35Cl2FN2O5/c1-3-32(42,22-12-15-37(16-13-22)17-14-29(39)40)24-18-27-30(28(36)19-24)33(43-2,23-6-10-26(35)11-7-23)38(31(27)41)20-21-4-8-25(34)9-5-21/h4-11,18-19,22,42H,3,12-17,20H2,1-2H3,(H,39,40)/t32-,33?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427156 (4-{[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[I-hydroxy-...) Show SMILES CC[C@@](O)(c1cn(C)cn1)c1cc2C(=O)N(Cc3ccc(cc3)C#N)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H30ClFN4O4/c1-3-32(41,29-18-38(2)20-37-29)24-14-27-30(28(35)15-24)33(43-26-12-13-42-19-26,23-8-10-25(34)11-9-23)39(31(27)40)17-22-6-4-21(16-36)5-7-22/h4-11,14-15,18,20,26,41H,3,12-13,17,19H2,1-2H3/t26-,32-,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427156 (4-{[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[I-hydroxy-...) Show SMILES CC[C@@](O)(c1cn(C)cn1)c1cc2C(=O)N(Cc3ccc(cc3)C#N)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H30ClFN4O4/c1-3-32(41,29-18-38(2)20-37-29)24-14-27-30(28(35)15-24)33(43-26-12-13-42-19-26,23-8-10-25(34)11-9-23)39(31(27)40)17-22-6-4-21(16-36)5-7-22/h4-11,14-15,18,20,26,41H,3,12-13,17,19H2,1-2H3/t26-,32-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427123 (US10544132, Example 70 | US10981898, Example 69) Show SMILES CN1CCN(C[C@@](C)(O)c2cc3C(=O)N(Cc4ccc(Cl)cc4S(C)(=O)=O)[C@](O[C@H]4CCOC4)(c3c(F)c2)c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C34H38Cl2FN3O6S/c1-33(42,21-39-13-11-38(2)12-14-39)24-16-28-31(29(37)17-24)34(46-27-10-15-45-20-27,23-5-8-25(35)9-6-23)40(32(28)41)19-22-4-7-26(36)18-30(22)47(3,43)44/h4-9,16-18,27,42H,10-15,19-21H2,1-3H3/t27-,33+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427122 (US10544132, Example 69 | US10981898, Example 70) Show SMILES CN1CCN(C[C@](C)(O)c2cc3C(=O)N(Cc4ccc(Cl)cc4S(C)(=O)=O)[C@](O[C@H]4CCOC4)(c3c(F)c2)c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C34H38Cl2FN3O6S/c1-33(42,21-39-13-11-38(2)12-14-39)24-16-28-31(29(37)17-24)34(46-27-10-15-45-20-27,23-5-8-25(35)9-6-23)40(32(28)41)19-22-4-7-26(36)18-30(22)47(3,43)44/h4-9,16-18,27,42H,10-15,19-21H2,1-3H3/t27-,33-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427147 ((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...) Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@@](C)(O)C1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H30Cl2FNO6/c1-30(39,19-11-13-41-14-12-19)21-15-24-28(25(34)16-21)31(40-2,20-5-9-23(33)10-6-20)35(29(24)38)26(17-27(36)37)18-3-7-22(32)8-4-18/h3-10,15-16,19,26,39H,11-14,17H2,1-2H3,(H,36,37)/t26-,30-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427147 ((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...) Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@@](C)(O)C1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H30Cl2FNO6/c1-30(39,19-11-13-41-14-12-19)21-15-24-28(25(34)16-21)31(40-2,20-5-9-23(33)10-6-20)35(29(24)38)26(17-27(36)37)18-3-7-22(32)8-4-18/h3-10,15-16,19,26,39H,11-14,17H2,1-2H3,(H,36,37)/t26-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50235359 (CHEMBL4088242) Show SMILES CC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C=O |r| Show InChI InChI=1S/C15H19N5O4S/c1-3-9(2)24-14-12(8-21)13(16)19-15(20-14)18-10-4-6-11(7-5-10)25(17,22)23/h4-9H,3H2,1-2H3,(H2,17,22,23)(H3,16,18,19,20)/t9-/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	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427098 (US10544132, Example 50 | US10981898, Example 62 | ...) Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H30Cl2FNO6S/c1-28(2,37)20-12-23-26(24(33)13-20)30(19-5-8-21(31)9-6-19,40-17-29(16-35)10-11-29)34(27(23)36)15-18-4-7-22(32)14-25(18)41(3,38)39/h4-9,12-14,35,37H,10-11,15-17H2,1-3H3/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427158 ((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...) Show SMILES CO[C@]1(N([C@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@](C)(O)C1(F)CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H29Cl2F2NO6/c1-29(40,30(35)11-13-42-14-12-30)20-15-23-27(24(34)16-20)31(41-2,19-5-9-22(33)10-6-19)36(28(23)39)25(17-26(37)38)18-3-7-21(32)8-4-18/h3-10,15-16,25,40H,11-14,17H2,1-2H3,(H,37,38)/t25-,29+,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427098 (US10544132, Example 50 | US10981898, Example 62 | ...) Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3S(C)(=O)=O)[C@](OCC3(CO)CC3)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H30Cl2FNO6S/c1-28(2,37)20-12-23-26(24(33)13-20)30(19-5-8-21(31)9-6-19,40-17-29(16-35)10-11-29)34(27(23)36)15-18-4-7-22(32)14-25(18)41(3,38)39/h4-9,12-14,35,37H,10-11,15-17H2,1-3H3/t30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM492987 (US10981898, Example 98) Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@](C)(O)C1(F)CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H29Cl2F2NO6/c1-29(40,30(35)11-13-42-14-12-30)20-15-23-27(24(34)16-20)31(41-2,19-5-9-22(33)10-6-19)36(28(23)39)25(17-26(37)38)18-3-7-21(32)8-4-18/h3-10,15-16,25,40H,11-14,17H2,1-2H3,(H,37,38)/t25-,29-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427136 ((3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]-...) Show SMILES CS(=O)(=O)c1cc(Cl)ccc1CN1C(=O)c2cc(cc(F)c2[C@]1(OCC1(CO)CC1)c1ccc(Cl)cc1)[C@@H](O)C1CCOCC1 |r| Show InChI InChI=1S/C33H34Cl2FNO7S/c1-45(41,42)28-16-25(35)5-2-21(28)17-37-31(40)26-14-22(30(39)20-8-12-43-13-9-20)15-27(36)29(26)33(37,23-3-6-24(34)7-4-23)44-19-32(18-38)10-11-32/h2-7,14-16,20,30,38-39H,8-13,17-19H2,1H3/t30-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427139 ((3R)-2-[(4-chloro-2-methanesulfonylphenyl)methyl]-...) Show SMILES CS(=O)(=O)c1cc(Cl)ccc1CN1C(=O)c2cc(cc(F)c2[C@]1(OCC1(CO)CC1)c1ccc(Cl)cc1)[C@H](O)C1CCOCC1 |r| Show InChI InChI=1S/C33H34Cl2FNO7S/c1-45(41,42)28-16-25(35)5-2-21(28)17-37-31(40)26-14-22(30(39)20-8-12-43-13-9-20)15-27(36)29(26)33(37,23-3-6-24(34)7-4-23)44-19-32(18-38)10-11-32/h2-7,14-16,20,30,38-39H,8-13,17-19H2,1H3/t30-,33-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235343 (CHEMBL4103249) Show SMILES CCC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C15H18N6O3S/c1-3-9(2)24-14-12-13(18-8-17-12)20-15(21-14)19-10-4-6-11(7-5-10)25(16,22)23/h4-9H,3H2,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427194 (US10544132, Example 135 | US10981898, Example 134 ...) Show SMILES CC[C@](O)(C1CCN(CC(O)=O)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H33Cl2FN2O5/c1-3-31(41,21-12-14-36(15-13-21)19-28(38)39)23-16-26-29(27(35)17-23)32(42-2,22-6-10-25(34)11-7-22)37(30(26)40)18-20-4-8-24(33)9-5-20/h4-11,16-17,21,41H,3,12-15,18-19H2,1-2H3,(H,38,39)/t31-,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427193 (US10544132, Example 134 | US11236047, Example 135) Show SMILES CC[C@@](O)(C1CCN(CC(O)=O)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H33Cl2FN2O5/c1-3-31(41,21-12-14-36(15-13-21)19-28(38)39)23-16-26-29(27(35)17-23)32(42-2,22-6-10-25(34)11-7-22)37(30(26)40)18-20-4-8-24(33)9-5-20/h4-11,16-17,21,41H,3,12-15,18-19H2,1-2H3,(H,38,39)/t31-,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50539763 (Adagrasib | Mrtx-849 | Mrtx849) Show SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12 Show InChI InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	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
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427195 (US10544132, Example 136 | US10981898, Example 137 ...) Show SMILES CC[C@](O)(C1CCN(CCC(=O)OC)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H37Cl2FN2O5/c1-4-33(42,23-13-16-38(17-14-23)18-15-30(40)43-2)25-19-28-31(29(37)20-25)34(44-3,24-7-11-27(36)12-8-24)39(32(28)41)21-22-5-9-26(35)10-6-22/h5-12,19-20,23,42H,4,13-18,21H2,1-3H3/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427195 (US10544132, Example 136 | US10981898, Example 137 ...) Show SMILES CC[C@](O)(C1CCN(CCC(=O)OC)CC1)c1cc2C(=O)N(Cc3ccc(Cl)cc3)[C@](OC)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H37Cl2FN2O5/c1-4-33(42,23-13-16-38(17-14-23)18-15-30(40)43-2)25-19-28-31(29(37)20-25)34(44-3,24-7-11-27(36)12-8-24)39(32(28)41)21-22-5-9-26(35)10-6-22/h5-12,19-20,23,42H,4,13-18,21H2,1-3H3/t33-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM427125 (US10544132, Example 72 | US10981898, Example 72 | ...) Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3CO)[C@](OCC3(CC3)C#N)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H27Cl2FN2O4/c1-28(2,38)21-12-24-26(25(33)13-21)30(20-4-7-22(31)8-5-20,39-17-29(16-34)9-10-29)35(27(24)37)14-18-3-6-23(32)11-19(18)15-36/h3-8,11-13,36,38H,9-10,14-15,17H2,1-2H3/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10544132 (2020) BindingDB Entry DOI: 10.7270/Q27H1N06
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50434072 (CHEMBL2381342) Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10| Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of GST-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay				Eur J Med Chem 178: 530-543 (2019) Article DOI: 10.1016/j.ejmech.2019.05.057 BindingDB Entry DOI: 10.7270/Q23F4T0G
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM427125 (US10544132, Example 72 | US10981898, Example 72 | ...) Show SMILES CC(C)(O)c1cc2C(=O)N(Cc3ccc(Cl)cc3CO)[C@](OCC3(CC3)C#N)(c2c(F)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H27Cl2FN2O4/c1-28(2,38)21-12-24-26(25(33)13-21)30(20-4-7-22(31)8-5-20,39-17-29(16-34)9-10-29)35(27(24)37)14-18-3-6-23(32)11-19(18)15-36/h3-8,11-13,36,38H,9-10,14-15,17H2,1-2H3/t30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED US Patent					Assay Description The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...				US Patent US10981898 (2021) BindingDB Entry DOI: 10.7270/Q2154M5V
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50434072 (CHEMBL2381342) Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10| Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01756 BindingDB Entry DOI: 10.7270/Q20R9TH8
					More data for this Ligand-Target Pair

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