Compile Data Set for Download or QSAR

Found 169 hits with Last Name = 'young' and Initial = 'bm'   

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
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332638 (2,4-dichloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)ph...) Show SMILES Clc1ccc(C(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C20H12Cl2N2O3/c21-13-7-8-15(16(22)11-13)20(27)24-14-5-3-4-12(10-14)18(25)19(26)17-6-1-2-9-23-17/h1-11H,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332637 (4-fluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H13FN2O3/c21-15-9-7-13(8-10-15)20(26)23-16-5-3-4-14(12-16)18(24)19(25)17-6-1-2-11-22-17/h1-12H,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	381	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332640 (CHEMBL1629724 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H13F3N2O3/c22-21(23,24)15-9-7-13(8-10-15)20(29)26-16-5-3-4-14(12-16)18(27)19(28)17-6-1-2-11-25-17/h1-12H,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332635 (3-chloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Clc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H13ClN2O3/c21-15-7-3-6-14(11-15)20(26)23-16-8-4-5-13(12-16)18(24)19(25)17-9-1-2-10-22-17/h1-12H,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	756	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332641 (4-methyl-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O3/c1-14-8-10-15(11-9-14)21(26)23-17-6-4-5-16(13-17)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332642 (3,4-difluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)ph...) Show SMILES Fc1ccc(cc1F)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H12F2N2O3/c21-15-8-7-13(11-16(15)22)20(27)24-14-5-3-4-12(10-14)18(25)19(26)17-6-1-2-9-23-17/h1-11H,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332636 (2-(4-methoxyphenyl)-N-(3-(2-oxo-2-(pyridin-2-yl)ac...) Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)cc1 Show InChI InChI=1S/C22H18N2O4/c1-28-18-10-8-15(9-11-18)13-20(25)24-17-6-4-5-16(14-17)21(26)22(27)19-7-2-3-12-23-19/h2-12,14H,13H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332638 (2,4-dichloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)ph...) Show SMILES Clc1ccc(C(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C20H12Cl2N2O3/c21-13-7-8-15(16(22)11-13)20(27)24-14-5-3-4-12(10-14)18(25)19(26)17-6-1-2-9-23-17/h1-11H,(H,24,27)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332639 (CHEMBL1630809 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES O=C(Cc1cccs1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C19H14N2O3S/c22-17(12-15-7-4-10-25-15)21-14-6-3-5-13(11-14)18(23)19(24)16-8-1-2-9-20-16/h1-11H,12H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332640 (CHEMBL1629724 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H13F3N2O3/c22-21(23,24)15-9-7-13(8-10-15)20(29)26-16-5-3-4-14(12-16)18(27)19(28)17-6-1-2-11-25-17/h1-12H,(H,26,29)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332641 (4-methyl-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O3/c1-14-8-10-15(11-9-14)21(26)23-17-6-4-5-16(13-17)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332642 (3,4-difluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)ph...) Show SMILES Fc1ccc(cc1F)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H12F2N2O3/c21-15-8-7-13(11-16(15)22)20(27)24-14-5-3-4-12(10-14)18(25)19(26)17-6-1-2-9-23-17/h1-11H,(H,24,27)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332643 (CHEMBL1630812 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES O=C(COc1ccccc1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O4/c24-19(14-27-17-9-2-1-3-10-17)23-16-8-6-7-15(13-16)20(25)21(26)18-11-4-5-12-22-18/h1-13H,14H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332644 (4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)pheny...) Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O4/c1-27-17-10-8-14(9-11-17)21(26)23-16-6-4-5-15(13-16)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332635 (3-chloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Clc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H13ClN2O3/c21-15-7-3-6-14(11-15)20(26)23-16-8-4-5-13(12-16)18(24)19(25)17-9-1-2-10-22-17/h1-12H,(H,23,26)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332636 (2-(4-methoxyphenyl)-N-(3-(2-oxo-2-(pyridin-2-yl)ac...) Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)cc1 Show InChI InChI=1S/C22H18N2O4/c1-28-18-10-8-15(9-11-18)13-20(25)24-17-6-4-5-16(14-17)21(26)22(27)19-7-2-3-12-23-19/h2-12,14H,13H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50332637 (4-fluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H13FN2O3/c21-15-9-7-13(8-10-15)20(26)23-16-5-3-4-14(12-16)18(24)19(25)17-6-1-2-11-22-17/h1-12H,(H,23,26)	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332638 (2,4-dichloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)ph...) Show SMILES Clc1ccc(C(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C20H12Cl2N2O3/c21-13-7-8-15(16(22)11-13)20(27)24-14-5-3-4-12(10-14)18(25)19(26)17-6-1-2-9-23-17/h1-11H,(H,24,27)	PDB MMDB 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332639 (CHEMBL1630809 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES O=C(Cc1cccs1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C19H14N2O3S/c22-17(12-15-7-4-10-25-15)21-14-6-3-5-13(11-14)18(23)19(24)16-8-1-2-9-20-16/h1-11H,12H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332640 (CHEMBL1629724 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H13F3N2O3/c22-21(23,24)15-9-7-13(8-10-15)20(29)26-16-5-3-4-14(12-16)18(27)19(28)17-6-1-2-11-25-17/h1-12H,(H,26,29)	PDB MMDB 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332641 (4-methyl-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O3/c1-14-8-10-15(11-9-14)21(26)23-17-6-4-5-16(13-17)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)	PDB MMDB 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332642 (3,4-difluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)ph...) Show SMILES Fc1ccc(cc1F)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H12F2N2O3/c21-15-8-7-13(11-16(15)22)20(27)24-14-5-3-4-12(10-14)18(25)19(26)17-6-1-2-9-23-17/h1-11H,(H,24,27)	PDB MMDB 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332643 (CHEMBL1630812 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES O=C(COc1ccccc1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O4/c24-19(14-27-17-9-2-1-3-10-17)23-16-8-6-7-15(13-16)20(25)21(26)18-11-4-5-12-22-18/h1-13H,14H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332644 (4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)pheny...) Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O4/c1-27-17-10-8-14(9-11-17)21(26)23-16-6-4-5-15(13-16)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332643 (CHEMBL1630812 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES O=C(COc1ccccc1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O4/c24-19(14-27-17-9-2-1-3-10-17)23-16-8-6-7-15(13-16)20(25)21(26)18-11-4-5-12-22-18/h1-13H,14H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50332639 (CHEMBL1630809 | N-(3-(2-oxo-2-(pyridin-2-yl)acetyl...) Show SMILES O=C(Cc1cccs1)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C19H14N2O3S/c22-17(12-15-7-4-10-25-15)21-14-6-3-5-13(11-14)18(23)19(24)16-8-1-2-9-20-16/h1-11H,12H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332637 (4-fluoro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H13FN2O3/c21-15-9-7-13(8-10-15)20(26)23-16-5-3-4-14(12-16)18(24)19(25)17-6-1-2-11-22-17/h1-12H,(H,23,26)	PDB MMDB 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332644 (4-methoxy-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)pheny...) Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C21H16N2O4/c1-27-17-10-8-14(9-11-17)21(26)23-16-6-4-5-15(13-16)19(24)20(25)18-7-2-3-12-22-18/h2-13H,1H3,(H,23,26)	PDB MMDB 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332635 (3-chloro-N-(3-(2-oxo-2-(pyridin-2-yl)acetyl)phenyl...) Show SMILES Clc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)C(=O)c1ccccn1 Show InChI InChI=1S/C20H13ClN2O3/c21-15-7-3-6-14(11-15)20(26)23-16-8-4-5-13(12-16)18(24)19(25)17-9-1-2-10-22-17/h1-12H,(H,23,26)	PDB MMDB 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50332636 (2-(4-methoxyphenyl)-N-(3-(2-oxo-2-(pyridin-2-yl)ac...) Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)C(=O)C(=O)c2ccccn2)cc1 Show InChI InChI=1S/C22H18N2O4/c1-28-18-10-8-15(9-11-18)13-20(25)24-17-6-4-5-16(14-17)21(26)22(27)19-7-2-3-12-23-19/h2-12,14H,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry				J Med Chem 53: 8709-15 (2010) Article DOI: 10.1021/jm101101q BindingDB Entry DOI: 10.7270/Q2RN3847
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50145037 (CHEMBL3765783) Show SMILES C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Sc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 |r| Show InChI InChI=1S/C29H31N3O5S2/c1-18-15-31(16-19(2)36-18)17-27(34)30-20-6-7-24-26(12-20)38-25-5-3-4-22(29(25)39-24)23-13-21(33)14-28(37-23)32-8-10-35-11-9-32/h3-7,12-14,18-19H,8-11,15-17H2,1-2H3,(H,30,34)/t18-,19+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin)				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin)				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...) Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ATM using p53 as substrate preincubated for 10 mins by ELISA				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50145038 (CHEMBL2143829) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC Show InChI InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of flag-tagged ATM (unknown origin) using p53 as substrate by ELISA				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...) Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM in human U2OS cells assessed as inhibition of p53 phosphorylation at Ser15 residue				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50208517 (2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...) Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50145038 (CHEMBL2143829) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC Show InChI InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452557 (CHEMBL4206677 | US11028051, Cmpd 55) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r| Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-9-13(3)23(14(4)24)19-6-5-15(10-17(18)19)16-7-8-21-11-16/h5-8,10-13,18,21H,9H2,1-4H3,(H,22,25)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452551 (CHEMBL4209110 | US11028051, Cmpd 50) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r| Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50028142 (CHEMBL2177300) Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144958 (CHEMBL3763939) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCNC(=O)OC(C)(C)C Show InChI InChI=1S/C23H26N8O4/c1-23(2,3)35-22(32)26-9-10-34-18-11-14-16(12-17(18)33-4)27-13-28-20(14)31-21(24)29-19(30-31)15-7-5-6-8-25-15/h5-8,11-13H,9-10H2,1-4H3,(H,26,32)(H2,24,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144957 (CHEMBL3765373) Show SMILES CCOC(=O)NCCCOc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1 Show InChI InChI=1S/C22H24N8O4/c1-3-33-22(31)25-9-6-10-34-18-11-14-16(12-17(18)32-2)26-13-27-20(14)30-21(23)28-19(29-30)15-7-4-5-8-24-15/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,25,31)(H2,23,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144959 (CHEMBL3764231) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCCNC(=O)OC(C)(C)C Show InChI InChI=1S/C25H30N8O4/c1-25(2,3)37-24(34)28-11-7-8-12-36-20-13-16-18(14-19(20)35-4)29-15-30-22(16)33-23(26)31-21(32-33)17-9-5-6-10-27-17/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,28,34)(H2,26,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452552 (CHEMBL4205876 | US11028051, Cmpd 52) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144960 (CHEMBL3763565) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OC(C)(C)C Show InChI InChI=1S/C24H28N8O4/c1-24(2,3)36-23(33)27-10-7-11-35-19-12-15-17(13-18(19)34-4)28-14-29-21(15)32-22(25)30-20(31-32)16-8-5-6-9-26-16/h5-6,8-9,12-14H,7,10-11H2,1-4H3,(H,27,33)(H2,25,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144956 (CHEMBL3764768) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OC(C)C Show InChI InChI=1S/C23H26N8O4/c1-14(2)35-23(32)26-9-6-10-34-19-11-15-17(12-18(19)33-3)27-13-28-21(15)31-22(24)29-20(30-31)16-7-4-5-8-25-16/h4-5,7-8,11-14H,6,9-10H2,1-3H3,(H,26,32)(H2,24,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay				J Med Chem 59: 559-77 (2016) Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50452556 (CHEMBL4210405 | US11028051, Cmpd 53) Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-26-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...				Bioorg Med Chem 26: 25-36 (2018) Article DOI: 10.1016/j.bmc.2017.10.042 BindingDB Entry DOI: 10.7270/Q2B56NB2
					More data for this Ligand-Target Pair

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