Found 336 hits with Last Name = 'suryadevara' 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 |
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 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 | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM282
((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.6 | 25 |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus
| Assay Description Supercoiling assay was performed using the commercially available kit (DNA gyrase supercoiling assay kit: SAS4001) from Inspiralis Pvt.limited, Norwi... |
Chem Biol Drug Des 86: 918-25 (2015)
Article DOI: 10.1111/cbdd.12529 BindingDB Entry DOI: 10.7270/Q2610Z29 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB MMDB
KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology & Science-Pilani
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi... |
Bioorg Med Chem 22: 5970-87 (2014)
Article DOI: 10.1016/j.bmc.2014.09.008 BindingDB Entry DOI: 10.7270/Q23X89MP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology & Science-Pilani
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity |
Bioorg Med Chem 22: 5970-87 (2014)
Article DOI: 10.1016/j.bmc.2014.09.008 BindingDB Entry DOI: 10.7270/Q23X89MP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM282
((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus
| Assay Description Initially, equimolar quantities of about 0.5µM each of E. coli gyraseA and S. aureus gyraseB were incubated for a period of 45 min with salmon sperm ... |
Chem Biol Drug Des 86: 918-25 (2015)
Article DOI: 10.1111/cbdd.12529 BindingDB Entry DOI: 10.7270/Q2610Z29 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology&Science
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu... |
Eur J Med Chem 103: 1-16 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.032 BindingDB Entry DOI: 10.7270/Q2KS6TBH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50423645
(Albamycin | Cathomycin | NOVOBIOCIN)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology& Science-Pilani
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) after 2 hrs |
Eur J Med Chem 70: 143-53 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.025 BindingDB Entry DOI: 10.7270/Q2T72JWH |
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
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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
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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 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
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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)) | 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)) | 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 | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50366824
(Avelox | MOXIFLOXACIN | Moxifl-oxacin)Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1 | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus
| Assay Description Initially, equimolar quantities of about 0.5µM each of E. coli gyraseA and S. aureus gyraseB were incubated for a period of 45 min with salmon sperm ... |
Chem Biol Drug Des 86: 918-25 (2015)
Article DOI: 10.1111/cbdd.12529 BindingDB Entry DOI: 10.7270/Q2610Z29 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50126842
(CHEMBL3628523)Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccc(OC)cc34)C(O)=O)cc2)CC1 Show InChI InChI=1S/C26H32N4O4/c1-3-29-12-14-30(15-13-29)11-4-16-34-20-7-5-19(6-8-20)28-25-22-17-21(33-2)9-10-24(22)27-18-23(25)26(31)32/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28)(H,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology&Science
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu... |
Eur J Med Chem 103: 1-16 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.032 BindingDB Entry DOI: 10.7270/Q2KS6TBH |
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 | |
Secreted chorismate mutase
(Mycobacterium tuberculosis H37Rv) | BDBM108084
(3-((5-nitrothiophen-2-yl)methylene)indolin-2-one (...)Show InChI InChI=1S/C13H8N2O3S/c16-13-10(9-3-1-2-4-11(9)14-13)7-8-5-6-12(19-8)15(17)18/h1-7H,(H,14,16)/b10-7- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | 37 |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India
| Assay Description The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ... |
Chem Biol Drug Des 83: 498-506 (2014)
Article DOI: 10.1111/cbdd.12265 BindingDB Entry DOI: 10.7270/Q2F76B65 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50126828
(CHEMBL3628358)Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(OCCCN2CCN(CC)CC2)cc1)C(F)(F)F Show InChI InChI=1S/C28H33F3N4O3/c1-3-34-13-15-35(16-14-34)12-5-17-38-22-9-7-21(8-10-22)33-26-23-18-20(28(29,30)31)6-11-25(23)32-19-24(26)27(36)37-4-2/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology&Science
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu... |
Eur J Med Chem 103: 1-16 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.032 BindingDB Entry DOI: 10.7270/Q2KS6TBH |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50126797
(CHEMBL3628440)Show SMILES NNC(=O)c1cnc2ccccc2c1Nc1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C23H27N5O3/c24-27-23(29)20-16-25-21-5-2-1-4-19(21)22(20)26-17-6-8-18(9-7-17)31-13-3-10-28-11-14-30-15-12-28/h1-2,4-9,16H,3,10-15,24H2,(H,25,26)(H,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology&Science
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu... |
Eur J Med Chem 103: 1-16 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.032 BindingDB Entry DOI: 10.7270/Q2KS6TBH |
More data for this Ligand-Target Pair | |
Secreted chorismate mutase
(Mycobacterium tuberculosis H37Rv) | BDBM22787
(1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...)Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | 37 |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India
| Assay Description The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ... |
Chem Biol Drug Des 83: 498-506 (2014)
Article DOI: 10.1111/cbdd.12265 BindingDB Entry DOI: 10.7270/Q2F76B65 |
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)) | 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 | |
Secreted chorismate mutase
(Mycobacterium tuberculosis H37Rv) | BDBM108083
(3-(4-nitrobenzylidene)indolin-2-one (Compound 24))Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | 37 |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India
| Assay Description The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ... |
Chem Biol Drug Des 83: 498-506 (2014)
Article DOI: 10.1111/cbdd.12265 BindingDB Entry DOI: 10.7270/Q2F76B65 |
More data for this Ligand-Target Pair | |
Secreted chorismate mutase
(Mycobacterium tuberculosis H37Rv) | BDBM11022
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | 37 |
Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India
| Assay Description The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ... |
Chem Biol Drug Des 83: 498-506 (2014)
Article DOI: 10.1111/cbdd.12265 BindingDB Entry DOI: 10.7270/Q2F76B65 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50497467
(CHEMBL3344011)Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C18H16FN3O3/c19-12-6-9-14-15(10-12)22-18(21-14)11-4-7-13(8-5-11)20-16(23)2-1-3-17(24)25/h4-10H,1-3H2,(H,20,23)(H,21,22)(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology & Science-Pilani
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi... |
Bioorg Med Chem 22: 5970-87 (2014)
Article DOI: 10.1016/j.bmc.2014.09.008 BindingDB Entry DOI: 10.7270/Q23X89MP |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium smegmatis) | BDBM50126391
(CHEMBL3628453)Show SMILES CCN1CCN(CCCNc2ccc(Nc3c(cnc4ccc(F)cc34)C(=O)NN)cc2)CC1 Show InChI InChI=1S/C25H32FN7O/c1-2-32-12-14-33(15-13-32)11-3-10-28-19-5-7-20(8-6-19)30-24-21-16-18(26)4-9-23(21)29-17-22(24)25(34)31-27/h4-9,16-17,28H,2-3,10-15,27H2,1H3,(H,29,30)(H,31,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology&Science
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu... |
Eur J Med Chem 103: 1-16 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.032 BindingDB Entry DOI: 10.7270/Q2KS6TBH |
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)) | 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 | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50497467
(CHEMBL3344011)Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C18H16FN3O3/c19-12-6-9-14-15(10-12)22-18(21-14)11-4-7-13(8-5-11)20-16(23)2-1-3-17(24)25/h4-10H,1-3H2,(H,20,23)(H,21,22)(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology & Science-Pilani
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity |
Bioorg Med Chem 22: 5970-87 (2014)
Article DOI: 10.1016/j.bmc.2014.09.008 BindingDB Entry DOI: 10.7270/Q23X89MP |
More data for this Ligand-Target Pair | |