Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'suryadevara' and Initial = 'pk'   

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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476682 (CHEMBL428712 | PB-43) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CCn1cccc1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C26H27N7O2S/c1-30-20-28-17-24(30)19-32-18-23(15-22-14-21(16-27)7-8-25(22)32)33(13-12-31-10-4-5-11-31)36(34,35)26-6-2-3-9-29-26/h2-11,14,17,20,23H,12-13,15,18-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476678 (CHEMBL395222) Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)-n1cccn1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N Show InChI InChI=1S/C29H29N9O2S/c1-34-19-29(32-21-34)41(39,40)38(16-22-4-7-25(8-5-22)37-11-3-10-33-37)26-13-24-12-23(14-30)6-9-28(24)36(17-26)18-27-15-31-20-35(27)2/h3-12,15,19-21,26H,13,16-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM13328 (N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1...) Show SMILES Cc1onc(c1CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1ccccn1)-c1ccccc1 Show InChI InChI=1S/C31H29N7O3S/c1-22-28(31(35-41-22)24-8-4-3-5-9-24)20-38(42(39,40)30-10-6-7-13-34-30)26-15-25-14-23(16-32)11-12-29(25)37(18-26)19-27-17-33-21-36(27)2/h3-14,17,21,26H,15,18-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476685 (CHEMBL232104) Show SMILES COC(=O)N1CCC(CN(C2CN(Cc3cncn3C)c3ccc(cc3C2)C#N)S(=O)(=O)c2ccccn2)CC1 Show InChI InChI=1S/C28H33N7O4S/c1-32-20-30-16-25(32)19-34-18-24(14-23-13-22(15-29)6-7-26(23)34)35(40(37,38)27-5-3-4-10-31-27)17-21-8-11-33(12-9-21)28(36)39-2/h3-7,10,13,16,20-21,24H,8-9,11-12,14,17-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM13324 (1-Methyl-1H-imidazole-4-sulfonic Acid [6-Cyano-1-(...) Show SMILES Cc1ccccc1CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C27H29N7O2S/c1-20-6-4-5-7-22(20)14-34(37(35,36)27-17-31(2)19-30-27)24-11-23-10-21(12-28)8-9-26(23)33(15-24)16-25-13-29-18-32(25)3/h4-10,13,17-19,24H,11,14-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM13327 (N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1...) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccccn1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C26H25N7O2S/c1-31-19-28-15-24(31)18-32-17-23(13-21-12-20(14-27)8-9-25(21)32)33(16-22-6-2-4-10-29-22)36(34,35)26-7-3-5-11-30-26/h2-12,15,19,23H,13,16-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476680 (CHEMBL234757) Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)C(O)=O)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N Show InChI InChI=1S/C27H27N7O4S/c1-31-16-26(30-18-31)39(37,38)34(13-19-3-6-21(7-4-19)27(35)36)23-10-22-9-20(11-28)5-8-25(22)33(14-23)15-24-12-29-17-32(24)2/h3-9,12,16-18,23H,10,13-15H2,1-2H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM13335 (N-tert-Butyl-2-[[6-cyano-1-(3-methyl-3H-imidazol-4...) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC(=O)NC(C)(C)C)S(=O)(=O)c1nccn1C Show InChI InChI=1S/C25H32N8O3S/c1-25(2,3)29-23(34)16-33(37(35,36)24-28-8-9-30(24)4)20-11-19-10-18(12-26)6-7-22(19)32(14-20)15-21-13-27-17-31(21)5/h6-10,13,17,20H,11,14-16H2,1-5H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476679 (CHEMBL232523) Show SMILES CCOC(=O)N1CCC(CN(C2CN(Cc3cncn3C)c3ccc(cc3C2)C#N)S(=O)(=O)c2ccccn2)CC1 Show InChI InChI=1S/C29H35N7O4S/c1-3-40-29(37)34-12-9-22(10-13-34)18-36(41(38,39)28-6-4-5-11-32-28)25-15-24-14-23(16-30)7-8-27(24)35(19-25)20-26-17-31-21-33(26)2/h4-8,11,14,17,21-22,25H,3,9-10,12-13,15,18-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					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 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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476681 (CHEMBL234151 | PB-91) Show SMILES CCCC(=O)N1CCC(CN(C2CN(Cc3cncn3C)c3ccc(cc3C2)C#N)S(=O)(=O)c2ccccn2)CC1 Show InChI InChI=1S/C30H37N7O3S/c1-3-6-30(38)35-13-10-23(11-14-35)19-37(41(39,40)29-7-4-5-12-33-29)26-16-25-15-24(17-31)8-9-28(25)36(20-26)21-27-18-32-22-34(27)2/h4-5,7-9,12,15,18,22-23,26H,3,6,10-11,13-14,16,19-21H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476676 (CHEMBL231662) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C31H39N7O4S/c1-31(2,3)42-30(39)36-13-10-23(11-14-36)19-38(43(40,41)29-7-5-6-12-34-29)26-16-25-15-24(17-32)8-9-28(25)37(20-26)21-27-18-33-22-35(27)4/h5-9,12,15,18,22-23,26H,10-11,13-14,16,19-21H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					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 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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476675 (CHEMBL233742) Show SMILES COCCCN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C23H29N7O3S/c1-27-15-23(26-17-27)34(31,32)30(7-4-8-33-3)20-10-19-9-18(11-24)5-6-22(19)29(13-20)14-21-12-25-16-28(21)2/h5-6,9,12,15-17,20H,4,7-8,10,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476677 (CHEMBL394086 | PB-90) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC1CCN(CC1)C(=O)CC(C)(C)C)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C32H41N7O3S/c1-32(2,3)17-31(40)37-13-10-24(11-14-37)20-39(43(41,42)30-7-5-6-12-35-30)27-16-26-15-25(18-33)8-9-29(26)38(21-27)22-28-19-34-23-36(28)4/h5-9,12,15,19,23-24,27H,10-11,13-14,16-17,20-22H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM13330 (N-[(6-chloro-2,1,3-benzothiadiazol-5-yl)methyl]-N-...) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1cc2nsnc2cc1Cl)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C27H23ClN8O2S2/c1-34-17-30-13-22(34)16-35-15-21(9-19-8-18(12-29)5-6-26(19)35)36(40(37,38)27-4-2-3-7-31-27)14-20-10-24-25(11-23(20)28)33-39-32-24/h2-8,10-11,13,17,21H,9,14-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					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 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)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476674 (CHEMBL394407 | PB-95) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC1CCN(CC1)C(=O)c1ccccc1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C33H35N7O3S/c1-37-24-35-20-30(37)23-39-22-29(18-28-17-26(19-34)10-11-31(28)39)40(44(42,43)32-9-5-6-14-36-32)21-25-12-15-38(16-13-25)33(41)27-7-3-2-4-8-27/h2-11,14,17,20,24-25,29H,12-13,15-16,18,21-23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					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 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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476684 (CHEMBL392237) Show SMILES CC(C)COC(=O)N1CCC(CN(C2CN(Cc3cncn3C)c3ccc(cc3C2)C#N)S(=O)(=O)c2ccccn2)CC1 Show InChI InChI=1S/C31H39N7O4S/c1-23(2)21-42-31(39)36-12-9-24(10-13-36)18-38(43(40,41)30-6-4-5-11-34-30)27-15-26-14-25(16-32)7-8-29(26)37(19-27)20-28-17-33-22-35(28)3/h4-8,11,14,17,22-24,27H,9-10,12-13,15,18-21H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50476683 (CHEMBL234161) Show SMILES Cn1cnc(c1)S(=O)(=O)N(CC1CCNCC1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N Show InChI InChI=1S/C25H32N8O2S/c1-30-16-25(29-18-30)36(34,35)33(13-19-5-7-27-8-6-19)22-10-21-9-20(11-26)3-4-24(21)32(14-22)15-23-12-28-17-31(23)2/h3-4,9,12,16-19,22,27H,5-8,10,13-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					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 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 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)
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 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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM13329 (N-[(1-bromonaphthalen-2-yl)methyl]-N-{6-cyano-1-[(...) Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccc2ccccc2c1Br)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C31H27BrN6O2S/c1-36-21-34-17-27(36)20-37-19-26(15-25-14-22(16-33)9-12-29(25)37)38(41(39,40)30-8-4-5-13-35-30)18-24-11-10-23-6-2-3-7-28(23)31(24)32/h2-14,17,21,26H,15,18-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					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 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))	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 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))	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 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))	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 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 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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM13326 (1-Methyl-1H-imidazole-4-sulfonic Acid (1-Bromonaph...) Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccc2ccccc2c1Br)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N Show InChI InChI=1S/C30H28BrN7O2S/c1-35-18-29(34-20-35)41(39,40)38(15-23-9-8-22-5-3-4-6-27(22)30(23)31)25-12-24-11-21(13-32)7-10-28(24)37(16-25)17-26-14-33-19-36(26)2/h3-11,14,18-20,25H,12,15-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
University of Washington Curated by ChEMBL					Assay Description Inhibition of protein farnesyltransferase				J Med Chem 50: 4585-605 (2007) Article DOI: 10.1021/jm0703340 BindingDB Entry DOI: 10.7270/Q2RX9FT9
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144955 (CHEMBL3764022) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OCC(F)(F)F Show InChI InChI=1S/C22H21F3N8O4/c1-35-16-10-15-13(9-17(16)36-8-4-7-28-21(34)37-11-22(23,24)25)19(30-12-29-15)33-20(26)31-18(32-33)14-5-2-3-6-27-14/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3,(H,28,34)(H2,26,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144963 (CHEMBL3763358) Show SMILES COCCOc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1 Show InChI InChI=1S/C19H19N7O3/c1-27-7-8-29-16-9-12-14(10-15(16)28-2)22-11-23-18(12)26-19(20)24-17(25-26)13-5-3-4-6-21-13/h3-6,9-11H,7-8H2,1-2H3,(H2,20,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144981 (CHEMBL3764372) Show SMILES COc1cc2ncnc(-n3nc(cc3N)-c3ccccn3)c2cc1OC Show InChI InChI=1S/C18H16N6O2/c1-25-15-7-11-13(8-16(15)26-2)21-10-22-18(11)24-17(19)9-14(23-24)12-5-3-4-6-20-12/h3-10H,19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144964 (CHEMBL3763863) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN1CC(C)OC(C)C1 Show InChI InChI=1S/C25H30N8O3/c1-16-13-32(14-17(2)36-16)9-6-10-35-22-11-18-20(12-21(22)34-3)28-15-29-24(18)33-25(26)30-23(31-33)19-7-4-5-8-27-19/h4-5,7-8,11-12,15-17H,6,9-10,13-14H2,1-3H3,(H2,26,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144965 (CHEMBL3763259) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCC(C)CC1 Show InChI InChI=1S/C24H28N8O2/c1-16-6-9-31(10-7-16)11-12-34-21-13-17-19(14-20(21)33-2)27-15-28-23(17)32-24(25)29-22(30-32)18-5-3-4-8-26-18/h3-5,8,13-16H,6-7,9-12H2,1-2H3,(H2,25,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144961 (CHEMBL3764983) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)CN1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C27H33N9O4/c1-17-13-35(14-18(2)40-17)15-24(37)30-9-6-10-39-23-11-19-21(12-22(23)38-3)31-16-32-26(19)36-27(28)33-25(34-36)20-7-4-5-8-29-20/h4-5,7-8,11-12,16-18H,6,9-10,13-15H2,1-3H3,(H,30,37)(H2,28,33,34)/t17-,18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144952 (CHEMBL3765095) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OCC(C)(C)C Show InChI InChI=1S/C25H30N8O4/c1-25(2,3)14-37-24(34)28-10-7-11-36-20-12-16-18(13-19(20)35-4)29-15-30-22(16)33-23(26)31-21(32-33)17-8-5-6-9-27-17/h5-6,8-9,12-13,15H,7,10-11,14H2,1-4H3,(H,28,34)(H2,26,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50145002 (CHEMBL3763603) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccc3)c2cc1OC Show InChI InChI=1S/C18H16N6O2/c1-25-14-8-12-13(9-15(14)26-2)20-10-21-17(12)24-18(19)22-16(23-24)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,19,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144987 (CHEMBL3764633) Show SMILES COc1cc2nc(N)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC Show InChI InChI=1S/C17H16N8O2/c1-26-12-7-9-11(8-13(12)27-2)21-16(18)23-15(9)25-17(19)22-14(24-25)10-5-3-4-6-20-10/h3-8H,1-2H3,(H2,18,21,23)(H2,19,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144971 (CHEMBL3764051) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C23H26N8O3/c1-32-19-14-18-16(13-20(19)34-10-4-7-30-8-11-33-12-9-30)22(27-15-26-18)31-23(24)28-21(29-31)17-5-2-3-6-25-17/h2-3,5-6,13-15H,4,7-12H2,1H3,(H2,24,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144997 (CHEMBL3764300) Show SMILES COCCOc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCOC Show InChI InChI=1S/C21H23N7O4/c1-29-7-9-31-17-11-14-16(12-18(17)32-10-8-30-2)24-13-25-20(14)28-21(22)26-19(27-28)15-5-3-4-6-23-15/h3-6,11-13H,7-10H2,1-2H3,(H2,22,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144977 (CHEMBL3764371) Show SMILES COc1cc2ncnc(-n3ncc(c3N)-c3ccccn3)c2cc1OC Show InChI InChI=1S/C18H16N6O2/c1-25-15-7-11-14(8-16(15)26-2)21-10-22-18(11)24-17(19)12(9-23-24)13-5-3-4-6-20-13/h3-10H,19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144967 (CHEMBL3763333) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCC1 Show InChI InChI=1S/C22H24N8O2/c1-31-18-13-17-15(12-19(18)32-11-10-29-8-4-5-9-29)21(26-14-25-17)30-22(23)27-20(28-30)16-6-2-3-7-24-16/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H2,23,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144951 (CHEMBL3764626) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)C(F)(F)F Show InChI InChI=1S/C21H19F3N8O3/c1-34-15-10-14-12(9-16(15)35-8-4-7-27-19(33)21(22,23)24)18(29-11-28-14)32-20(25)30-17(31-32)13-5-2-3-6-26-13/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,27,33)(H2,25,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50145003 (CHEMBL3765732) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccncc3)c2cc1OC Show InChI InChI=1S/C17H15N7O2/c1-25-13-7-11-12(8-14(13)26-2)20-9-21-16(11)24-17(18)22-15(23-24)10-3-5-19-6-4-10/h3-9H,1-2H3,(H2,18,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144962 (CHEMBL3763327) Show SMILES CCN(CC)C(=O)COc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1 Show InChI InChI=1S/C22H24N8O3/c1-4-29(5-2)19(31)12-33-18-10-14-16(11-17(18)32-3)25-13-26-21(14)30-22(23)27-20(28-30)15-8-6-7-9-24-15/h6-11,13H,4-5,12H2,1-3H3,(H2,23,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144983 (CHEMBL3763767) Show SMILES COc1cc2ncnc(-n3cnc(n3)-c3ccccn3)c2cc1OC Show InChI InChI=1S/C17H14N6O2/c1-24-14-7-11-13(8-15(14)25-2)19-9-20-17(11)23-10-21-16(22-23)12-5-3-4-6-18-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144966 (CHEMBL3764577) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCCC1 Show InChI InChI=1S/C23H26N8O2/c1-32-19-14-18-16(13-20(19)33-12-11-30-9-5-2-6-10-30)22(27-15-26-18)31-23(24)28-21(29-31)17-7-3-4-8-25-17/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H2,24,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50144968 (CHEMBL3765728) Show SMILES COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN(C(C)C)C(C)C Show InChI InChI=1S/C24H30N8O2/c1-15(2)31(16(3)4)10-11-34-21-12-17-19(13-20(21)33-5)27-14-28-23(17)32-24(25)29-22(30-32)18-8-6-7-9-26-18/h6-9,12-16H,10-11H2,1-5H3,(H2,25,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+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

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