Found 107 hits with Last Name = 'rudewicz' and Initial = 'p' 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/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043407
(CHEMBL3355476)Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043409
(CHEMBL3355474)Show SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043385
(CHEMBL3355072)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043387
(CHEMBL3355074)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043408
(CHEMBL3355475)Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043382
(CHEMBL3355069)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043411
(CHEMBL3355480)Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043384
(CHEMBL3355071)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043383
(CHEMBL3355070)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043410
(CHEMBL3355473)Show SMILES C[C@@H]1COCCN1c1nc(cc2n(CS(C)(=O)=O)cnc12)-c1cccc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043386
(CHEMBL3355073)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043389
(CHEMBL3352844)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]cnc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043403
(CHEMBL3355472)Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3S/c1-29(26,27)13-25-12-22-19-18(25)11-17(23-20(19)24-7-9-28-10-8-24)14-3-2-4-16-15(14)5-6-21-16/h2-6,11-12,21H,7-10,13H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043413
(CHEMBL3355478)Show SMILES C[C@@H]1COCCN1c1nc(cc2n(CS(C)(=O)=O)cnc12)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C17H21N7O3S/c1-11-8-27-4-3-24(11)16-15-14(23(9-21-15)10-28(2,25)26)5-13(22-16)12-6-19-17(18)20-7-12/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)/t11-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50043381
(CHEMBL3355068)Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1 Show InChI InChI=1S/C21H18N4O3/c1-27-18-9-7-15(11-19(18)28-2)16-8-10-20-23-12-17(25(20)24-16)13-3-5-14(6-4-13)21(22)26/h3-12H,1-2H3,(H2,22,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420692
(CHEMBL2087076)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-9(18)1-3-14(12)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420696
(CHEMBL2087080)Show SMILES OC[C@@H](O)CONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H16FIN4O4/c18-13-5-9(19)1-3-15(13)21-16-11(2-4-14-12(16)6-20-22-14)17(26)23-27-8-10(25)7-24/h1-6,10,21,24-25H,7-8H2,(H,20,22)(H,23,26)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420702
(CHEMBL2087462)Show SMILES OC[C@@H](O)CONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H15FIN3O4S/c18-13-5-10(19)2-4-14(13)21-15-12(3-1-9-6-20-27-16(9)15)17(25)22-26-8-11(24)7-23/h1-6,11,21,23-24H,7-8H2,(H,22,25)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420693
(CHEMBL2087077)Show SMILES OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043381
(CHEMBL3355068)Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1 Show InChI InChI=1S/C21H18N4O3/c1-27-18-9-7-15(11-19(18)28-2)16-8-10-20-23-12-17(25(20)24-16)13-3-5-14(6-4-13)21(22)26/h3-12H,1-2H3,(H2,22,26) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043404
(CHEMBL3352848)Show SMILES C(C1CC1)n1cnc2c(nc(cc12)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H23N5O/c1-2-16(17-6-7-23-18(17)3-1)19-12-20-21(24-14-27(20)13-15-4-5-15)22(25-19)26-8-10-28-11-9-26/h1-3,6-7,12,14-15,23H,4-5,8-11,13H2 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043388
(CHEMBL3355075)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ncc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043414
(CHEMBL3355477)Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1C2CCC1COC2 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420694
(CHEMBL2087078)Show SMILES C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043387
(CHEMBL3355074)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043415
(CHEMBL3355471)Show SMILES O=C(NC1CC1)c1cn2c(nc(cc2n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H22N6O2/c29-21(24-14-4-5-14)19-13-28-20(25-19)12-18(26-22(28)27-8-10-30-11-9-27)15-2-1-3-17-16(15)6-7-23-17/h1-3,6-7,12-14,23H,4-5,8-11H2,(H,24,29) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50043382
(CHEMBL3355069)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043401
(CHEMBL3355079)Show SMILES C[C@@H]1Cc2ncn(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043382
(CHEMBL3355069)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043402
(CHEMBL3355080)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2C(=O)N1c1ccnc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420697
(CHEMBL2087081)Show SMILES Fc1cc(I)ccc1Nc1c(ccc2[nH]ncc12)C(=O)NOCC1CC1 Show InChI InChI=1S/C18H16FIN4O2/c19-14-7-11(20)3-5-16(14)22-17-12(4-6-15-13(17)8-21-23-15)18(25)24-26-9-10-1-2-10/h3-8,10,22H,1-2,9H2,(H,21,23)(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043409
(CHEMBL3355474)Show SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043385
(CHEMBL3355072)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043408
(CHEMBL3355475)Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420698
(CHEMBL2087082)Show InChI InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043405
(CHEMBL3355470)Show SMILES C[C@@H]1COCCN1c1nc(cc2nccn12)-c1cccc2[nH]ccc12 |r| | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043406
(CHEMBL3355469)Show InChI InChI=1S/C18H17N5O/c1-2-13(14-4-5-19-15(14)3-1)16-12-17-20-6-7-23(17)18(21-16)22-8-10-24-11-9-22/h1-7,12,19H,8-11H2 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043407
(CHEMBL3355476)Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043384
(CHEMBL3355071)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420695
(CHEMBL2087079)Show InChI InChI=1S/C16H14BrFN4O3/c17-9-1-3-14(12(18)7-9)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50043385
(CHEMBL3355072)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATM (unknown origin) using p53-Q10-K17 peptide substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50043385
(CHEMBL3355072)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of DNA-PK (unknown origin) using GGGGMEEPQSDPSVEPPLSQETFSDLWKLLPE peptide substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043386
(CHEMBL3355073)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043412
(CHEMBL3355479)Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cnc(N)nc1)N1C2CCC1COC2 Show InChI InChI=1S/C18H21N7O3S/c1-29(26,27)10-24-9-22-16-15(24)4-14(11-5-20-18(19)21-6-11)23-17(16)25-12-2-3-13(25)8-28-7-12/h4-6,9,12-13H,2-3,7-8,10H2,1H3,(H2,19,20,21) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs |
ACS Med Chem Lett 6: 42-6 (2015)
Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50043383
(CHEMBL3355070)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50043390
(CHEMBL3355076)Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc(N)c1 |r| Show InChI InChI=1S/C18H26N6O2S/c1-13-11-24-17(12-23(13)15-3-6-20-18(19)9-15)16(10-21-24)14-4-7-22(8-5-14)27(2,25)26/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3,(H2,19,20)/t13-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50043383
(CHEMBL3355070)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha (unknown origin) |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50043385
(CHEMBL3355072)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR (unknown origin) by alphascreen SureFire p70 S6K (p-Thr389) assay |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50043385
(CHEMBL3355072)Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ERG by automated whole cell electrophysiology |
ACS Med Chem Lett 6: 37-41 (2015)
Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V |
More data for this Ligand-Target Pair | |