Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50002475 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 |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM (unknown origin) using p53 as substrate pretreated for 30 mins followed by substrate addition and measured after 2 hrs by HTRF assa... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459016
(CHEMBL4210045)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1nn(C)cc1C |r| Show InChI InChI=1S/C28H34N8O2/c1-18-17-35(3)34-25(18)19(2)31-26-22-15-20(7-9-23(22)32-33-27(26)28(29)37)21-8-10-24(30-16-21)38-14-6-13-36-11-4-5-12-36/h7-10,15-17,19H,4-6,11-14H2,1-3H3,(H2,29,37)(H,31,32)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM (unknown origin) using p53 as substrate pretreated for 30 mins followed by substrate addition and measured after 2 hrs by HTRF assa... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459014
(CHEMBL4212961)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)c1nn(C)cc1C |r| Show InChI InChI=1S/C26H32N8O2/c1-16-15-34(5)32-23(16)17(2)29-24-20-13-18(7-9-21(20)30-31-25(24)26(27)35)19-8-10-22(28-14-19)36-12-6-11-33(3)4/h7-10,13-15,17H,6,11-12H2,1-5H3,(H2,27,35)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459002
(CHEMBL4208569)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C27H32N8O2/c1-18(22-10-14-34(2)33-22)30-25-21-16-19(6-8-23(21)31-32-26(25)27(28)36)20-7-9-24(29-17-20)37-15-5-13-35-11-3-4-12-35/h6-10,14,16-18H,3-5,11-13,15H2,1-2H3,(H2,28,36)(H,30,31)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459015
(CHEMBL4213503)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C28H36N6O3/c1-19(20-9-15-36-16-10-20)31-26-23-17-21(5-7-24(23)32-33-27(26)28(29)35)22-6-8-25(30-18-22)37-14-4-13-34-11-2-3-12-34/h5-8,17-20H,2-4,9-16H2,1H3,(H2,29,35)(H,31,32)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459010
(CHEMBL4213919)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)c1nn(C)cc1C)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H34N8O2/c1-17-16-35(6)33-24(17)18(2)30-25-21-14-19(8-10-22(21)31-32-26(25)27(36)28-3)20-9-11-23(29-15-20)37-13-7-12-34(4)5/h8-11,14-16,18H,7,12-13H2,1-6H3,(H,28,36)(H,30,31)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459005
(CHEMBL4217902)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C25H30N8O2/c1-16(20-10-12-33(4)31-20)28-23-19-14-17(6-8-21(19)29-30-24(23)25(26)34)18-7-9-22(27-15-18)35-13-5-11-32(2)3/h6-10,12,14-16H,5,11,13H2,1-4H3,(H2,26,34)(H,28,29)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459011
(CHEMBL4215266)Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3C)c(cnc2cc1F)C(N)=O |r| Show InChI InChI=1S/C24H25FN6O2/c1-13-11-31(3)30-22(13)14(2)29-23-18-7-17(15-5-6-16(12-33-4)27-9-15)20(25)8-21(18)28-10-19(23)24(26)32/h5-11,14H,12H2,1-4H3,(H2,26,32)(H,28,29)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459018
(CHEMBL4166405)Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r| Show InChI InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459017
(CHEMBL4205148)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCN(C)C)nc1)C(N)=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C24H28N8O2/c1-15(19-9-10-32(4)30-19)27-22-18-13-16(5-7-20(18)28-29-23(22)24(25)33)17-6-8-21(26-14-17)34-12-11-31(2)3/h5-10,13-15H,11-12H2,1-4H3,(H2,25,33)(H,27,28)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459012
(CHEMBL4216325)Show SMILES COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)c3nn(C)cc3C)c2c1 |r| Show InChI InChI=1S/C23H25N7O2/c1-13-11-30(3)29-20(13)14(2)26-21-18-9-15(16-5-7-17(12-32-4)25-10-16)6-8-19(18)27-28-22(21)23(24)31/h5-11,14H,12H2,1-4H3,(H2,24,31)(H,26,27)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459007
(CHEMBL4218734)Show SMILES COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r| Show InChI InChI=1S/C24H28N4O3/c1-15(16-7-9-31-10-8-16)28-23-20-11-17(18-3-5-19(14-30-2)26-12-18)4-6-22(20)27-13-21(23)24(25)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,25,29)(H,27,28)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459001
(CHEMBL4205675)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCN(C)C)nc1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-12-34-13-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(33)27-2)20-6-8-23(28-16-20)35-14-11-32(3)4/h5-8,15-18H,9-14H2,1-4H3,(H,27,33)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459008
(CHEMBL4217379)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(NCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N7O2/c1-16(17-8-12-34-13-9-17)29-23-20-14-18(4-6-21(20)30-31-24(23)25(26)33)19-5-7-22(28-15-19)27-10-11-32(2)3/h4-7,14-17H,8-13H2,1-3H3,(H2,26,33)(H,27,28)(H,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459009
(CHEMBL4209427)Show SMILES COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r| Show InChI InChI=1S/C23H27N5O3/c1-14(15-7-9-31-10-8-15)26-21-19-11-16(17-3-5-18(13-30-2)25-12-17)4-6-20(19)27-28-22(21)23(24)29/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,24,29)(H,26,27)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459006
(CHEMBL4210849)Show SMILES COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1 |r| Show InChI InChI=1S/C22H23N7O2/c1-13(18-8-9-29(2)28-18)25-20-17-10-14(15-4-6-16(12-31-3)24-11-15)5-7-19(17)26-27-21(20)22(23)30/h4-11,13H,12H2,1-3H3,(H2,23,30)(H,25,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50459013
(CHEMBL4205554)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(COC)nc1 |r| Show InChI InChI=1S/C24H29N5O3/c1-15(16-8-10-32-11-9-16)27-22-20-12-17(18-4-6-19(14-31-3)26-13-18)5-7-21(20)28-29-23(22)24(30)25-2/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,25,30)(H,27,28)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kdelta using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kdelta using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of DNAPK in human HeLa nuclear cell extracts using FITC-EPPLSQEAFADLWKK as substrate measured after 40 mins by TR-FRET based Lanthascreen ... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kalpha using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of DNAPK in human HeLa nuclear cell extracts using FITC-EPPLSQEAFADLWKK as substrate measured after 40 mins by TR-FRET based Lanthascreen ... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kgamma using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kgamma using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kalpha using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of truncated FLAG-tagged mTOR (unknown origin) (1362 to 2549 residues) expressed in HEK293 cells using biotinylated P70 peptide as substra... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kbeta using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by ... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/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 | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PI3Kbeta using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by ... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human MDA-MB-231 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ERG expressed in CHOK1 cells at -70 mV holding potential by patch clamp electrophysiology method |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of mTOR in human MDA-MB-231 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/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 | >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta in human MDA-MB-231 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459018
(CHEMBL4166405)Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r| Show InChI InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/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 | >1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of mTOR in human MDA-MB-231 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50459003
(CHEMBL4218854)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of truncated FLAG-tagged mTOR (unknown origin) (1362 to 2549 residues) expressed in HEK293 cells using biotinylated P70 peptide as substra... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ERG expressed in CHOK1 cells at -70 mV holding potential by patch clamp electrophysiology method |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459010
(CHEMBL4213919)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)c1nn(C)cc1C)-c1ccc(OCCCN(C)C)nc1 |r| Show InChI InChI=1S/C27H34N8O2/c1-17-16-35(6)33-24(17)18(2)30-25-21-14-19(8-10-22(21)31-32-26(25)27(36)28-3)20-9-11-23(29-15-20)37-13-7-12-34(4)5/h8-11,14-16,18H,7,12-13H2,1-6H3,(H,28,36)(H,30,31)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459011
(CHEMBL4215266)Show SMILES COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3C)c(cnc2cc1F)C(N)=O |r| Show InChI InChI=1S/C24H25FN6O2/c1-13-11-31(3)30-22(13)14(2)29-23-18-7-17(15-5-6-16(12-33-4)27-9-15)20(25)8-21(18)28-10-19(23)24(26)32/h5-11,14H,12H2,1-4H3,(H2,26,32)(H,28,29)/t14-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459009
(CHEMBL4209427)Show SMILES COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r| Show InChI InChI=1S/C23H27N5O3/c1-14(15-7-9-31-10-8-15)26-21-19-11-16(17-3-5-18(13-30-2)25-12-17)4-6-20(19)27-28-22(21)23(24)29/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,24,29)(H,26,27)/t14-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459006
(CHEMBL4210849)Show SMILES COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1 |r| Show InChI InChI=1S/C22H23N7O2/c1-13(18-8-9-29(2)28-18)25-20-17-10-14(15-4-6-16(12-31-3)24-11-15)5-7-19(17)26-27-21(20)22(23)30/h4-11,13H,12H2,1-3H3,(H2,23,30)(H,25,26)/t13-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459013
(CHEMBL4205554)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(COC)nc1 |r| Show InChI InChI=1S/C24H29N5O3/c1-15(16-8-10-32-11-9-16)27-22-20-12-17(18-4-6-19(14-31-3)26-13-18)5-7-21(20)28-29-23(22)24(30)25-2/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,25,30)(H,27,28)/t15-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459014
(CHEMBL4212961)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)c1nn(C)cc1C |r| Show InChI InChI=1S/C26H32N8O2/c1-16-15-34(5)32-23(16)17(2)29-24-20-13-18(7-9-21(20)30-31-25(24)26(27)35)19-8-10-22(28-14-19)36-12-6-11-33(3)4/h7-10,13-15,17H,6,11-12H2,1-5H3,(H2,27,35)(H,29,30)/t17-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459016
(CHEMBL4210045)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1nn(C)cc1C |r| Show InChI InChI=1S/C28H34N8O2/c1-18-17-35(3)34-25(18)19(2)31-26-22-15-20(7-9-23(22)32-33-27(26)28(29)37)21-8-10-24(30-16-21)38-14-6-13-36-11-4-5-12-36/h7-10,15-17,19H,4-6,11-14H2,1-3H3,(H2,29,37)(H,31,32)/t19-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459017
(CHEMBL4205148)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCN(C)C)nc1)C(N)=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C24H28N8O2/c1-15(19-9-10-32(4)30-19)27-22-18-13-16(5-7-20(18)28-29-23(22)24(25)33)17-6-8-21(26-14-17)34-12-11-31(2)3/h5-10,13-15H,11-12H2,1-4H3,(H2,25,33)(H,27,28)/t15-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50459001
(CHEMBL4205675)Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCN(C)C)nc1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-12-34-13-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(33)27-2)20-6-8-23(28-16-20)35-14-11-32(3)4/h5-8,15-18H,9-14H2,1-4H3,(H,27,33)(H,29,30)/t17-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha in human BT474 cells assessed as reduction in Akt phosphorylation at Tyr308 residue measured after 2 hrs by fluorescence assa... |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50459004
(CHEMBL4217549)Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
ACS Med Chem Lett 9: 809-814 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ |
More data for this Ligand-Target Pair | |