Found 431 hits with Last Name = 'hickson' and Initial = 'i' 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 |
|---|
Androgen receptor
(Homo sapiens (Human)) | BDBM493530
(5-[5-oxo-8-[6-(4-piperidyloxy)- 3-pyridyl]-7-thiox...)Show SMILES FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O Show InChI InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
ReceptorsGR (human) (agonist radioligand) IM-9 cells (cytosol)[3H]dexamethasone 1.5 nM 1.5 nM triamcinolone (10 μM) 6 h 4° C. Scintillation coun... |
US Patent US10981926 (2021)
BindingDB Entry DOI: 10.7270/Q2QR518M |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570254
(CHEMBL4865865)Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation a... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50425732
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
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PC cid
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UniChem
Similars
| DrugBank
Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation a... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50570254
(CHEMBL4865865)Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50425732
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) | PDB
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UniChem
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| Article
PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427322
(CHEMBL2325703)Show SMILES CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O Show InChI InChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3 | PDB
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UniChem
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| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427320
(CHEMBL2325705)Show SMILES CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H26N4O4S/c1-31(27,28)22(6-11-29-12-7-22)19-15-20(26-9-13-30-14-10-26)25-21(24-19)17-3-2-4-18-16(17)5-8-23-18/h2-5,8,15,23H,6-7,9-14H2,1H3 | PDB
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UniChem
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50541592
(CHEMBL3187788)Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24) | PDB
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01249
BindingDB Entry DOI: 10.7270/Q23R0XXD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427314
(CHEMBL2325711)Show SMILES O=S(=O)(c1ccccc1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427326
(CHEMBL2325697)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ... |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM493530
(5-[5-oxo-8-[6-(4-piperidyloxy)- 3-pyridyl]-7-thiox...)Show SMILES FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O Show InChI InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2 | PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
ReceptorsGR (human) (agonist radioligand) IM-9 cells (cytosol)[3H]dexamethasone 1.5 nM 1.5 nM triamcinolone (10 μM) 6 h 4° C. Scintillation coun... |
US Patent US10981926 (2021)
BindingDB Entry DOI: 10.7270/Q2QR518M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427327
(CHEMBL2325699)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CC2CCC(C1)O2 |TLB:9:22:29:25.26| Show InChI InChI=1S/C22H24N4O3S/c1-30(27,28)22(8-9-22)19-11-20(26-12-14-5-6-15(13-26)29-14)25-21(24-19)17-3-2-4-18-16(17)7-10-23-18/h2-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1H3 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427321
(CHEMBL2325704)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)20(6-7-20)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-3-2-4-16-14(15)5-8-21-16/h2-5,8,13,21H,6-7,9-12H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427305
(CHEMBL2325720)Show SMILES Cc1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)29(2,26)27)13-19(24-20)25-7-9-28-10-8-25/h3,6,11-13,22H,4-5,7-10H2,1-2H3 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ... |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427319
(CHEMBL2325706)Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457815
(CHEMBL4211840)Show SMILES COc1cc(nc(c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r| Show InChI InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01249
BindingDB Entry DOI: 10.7270/Q23R0XXD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427317
(CHEMBL2325708)Show SMILES CC(C)S(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H26N4O3S/c1-15(2)30(27,28)22(7-8-22)19-14-20(26-10-12-29-13-11-26)25-21(24-19)17-4-3-5-18-16(17)6-9-23-18/h3-6,9,14-15,23H,7-8,10-13H2,1-2H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
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
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Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of ATM kinase |
J Med Chem 50: 1958-72 (2007)
Article DOI: 10.1021/jm061121y
BindingDB Entry DOI: 10.7270/Q2FB52MW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427297
(CHEMBL2325439)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(F)cc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H21FN4O3S/c1-29(26,27)20(3-4-20)17-12-18(25-6-8-28-9-7-25)24-19(23-17)15-10-13(21)11-16-14(15)2-5-22-16/h2,5,10-12,22H,3-4,6-9H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427296
(CHEMBL2325440)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(Cl)cc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H21ClN4O3S/c1-29(26,27)20(3-4-20)17-12-18(25-6-8-28-9-7-25)24-19(23-17)15-10-13(21)11-16-14(15)2-5-22-16/h2,5,10-12,22H,3-4,6-9H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570254
(CHEMBL4865865)Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]methyltrienolone from wild-type androgen receptor in human LNCaP cells incubated for 24 hrs by scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50302293
(4-(1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-imid...)Show SMILES COc1cc(cc(OC)c1O)-c1cn(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H27N7O5/c1-31-17-11-15(12-18(32-2)19(17)30)16-13-29(14-23-16)22-25-20(27-3-7-33-8-4-27)24-21(26-22)28-5-9-34-10-6-28/h11-14,30H,3-10H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mTOR kinase in human HeLa cells by ELISA |
Bioorg Med Chem Lett 19: 5898-901 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.069
BindingDB Entry DOI: 10.7270/Q2NG4QPH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427295
(CHEMBL2325695)Show SMILES COc1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1 Show InChI InChI=1S/C21H24N4O4S/c1-28-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)30(2,26)27)13-19(24-20)25-7-9-29-10-8-25/h3,6,11-13,22H,4-5,7-10H2,1-2H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ... |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50302286
(4-(5-(2,6-dimorpholinopyrimidin-4-yl)furan-2-yl)-2...)Show SMILES COc1cc(cc(OC)c1O)-c1ccc(o1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H28N4O6/c1-30-20-13-16(14-21(31-2)23(20)29)18-3-4-19(34-18)17-15-22(27-5-9-32-10-6-27)26-24(25-17)28-7-11-33-12-8-28/h3-4,13-15,29H,5-12H2,1-2H3 | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mTOR kinase in human HeLa cells by ELISA |
Bioorg Med Chem Lett 19: 5898-901 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.069
BindingDB Entry DOI: 10.7270/Q2NG4QPH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427307
(CHEMBL2325718)Show SMILES Cc1cc2c(cccc2[nH]1)-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C21H24N4O3S/c1-14-12-16-15(4-3-5-17(16)22-14)20-23-18(21(6-7-21)29(2,26)27)13-19(24-20)25-8-10-28-11-9-25/h3-5,12-13,22H,6-11H2,1-2H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50384254
(CHEMBL2030442)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427316
(CHEMBL2325709)Show SMILES O=S(=O)(C1CCOCC1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H28N4O4S/c29-33(30,17-5-12-31-13-6-17)24(7-8-24)21-16-22(28-10-14-32-15-11-28)27-23(26-21)19-2-1-3-20-18(19)4-9-25-20/h1-4,9,16-17,25H,5-8,10-15H2 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427313
(CHEMBL2325712)Show SMILES O=S(=O)(c1ccccn1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H23N5O3S/c30-33(31,22-6-1-2-10-26-22)24(8-9-24)20-16-21(29-12-14-32-15-13-29)28-23(27-20)18-4-3-5-19-17(18)7-11-25-19/h1-7,10-11,16,25H,8-9,12-15H2 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427329
(CHEMBL2325696)Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ... |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM493530
(5-[5-oxo-8-[6-(4-piperidyloxy)- 3-pyridyl]-7-thiox...)Show SMILES FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O Show InChI InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2 | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570257
(CHEMBL4862827)Show SMILES Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)cc2)C2(CCC2)C1=O | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50427326
(CHEMBL2325697)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50425732
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]methyltrienolone from wild-type androgen receptor in human LNCaP cells incubated for 24 hrs by scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50429614
(CHEMBL2334589)Show SMILES COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O Show InChI InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01249
BindingDB Entry DOI: 10.7270/Q23R0XXD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427298
(CHEMBL2325438)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(cc2[nH]ccc12)C(N)=O)N1CCOCC1 Show InChI InChI=1S/C21H23N5O4S/c1-31(28,29)21(3-4-21)17-12-18(26-6-8-30-9-7-26)25-20(24-17)15-10-13(19(22)27)11-16-14(15)2-5-23-16/h2,5,10-12,23H,3-4,6-9H2,1H3,(H2,22,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427315
(CHEMBL2325710)Show SMILES O=S(=O)(C1CCNCC1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H29N5O3S/c30-33(31,17-4-9-25-10-5-17)24(7-8-24)21-16-22(29-12-14-32-15-13-29)28-23(27-21)19-2-1-3-20-18(19)6-11-26-20/h1-3,6,11,16-17,25-26H,4-5,7-10,12-15H2 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570263
(CHEMBL4849570)Show SMILES Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427326
(CHEMBL2325697)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570263
(CHEMBL4849570)Show SMILES Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR wild-type (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in presen... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50302285
(2,6-dimethoxy-4-(5-(2-morpholinopyrimidin-4-yl)fur...)Show SMILES COc1cc(cc(OC)c1O)-c1ccc(o1)-c1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C20H21N3O5/c1-25-17-11-13(12-18(26-2)19(17)24)15-3-4-16(28-15)14-5-6-21-20(22-14)23-7-9-27-10-8-23/h3-6,11-12,24H,7-10H2,1-2H3 | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mTOR kinase in human HeLa cells by ELISA |
Bioorg Med Chem Lett 19: 5898-901 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.069
BindingDB Entry DOI: 10.7270/Q2NG4QPH |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50576809
(CHEMBL4879321)Show SMILES CNC(=O)c1cc2C[C@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F |r| | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at wild type androgen receptor in castration-resistant human LNCaP cells assessed as inhibition of R1881-stimulated receptor tran... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00032
BindingDB Entry DOI: 10.7270/Q2668J06 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM493530
(5-[5-oxo-8-[6-(4-piperidyloxy)- 3-pyridyl]-7-thiox...)Show SMILES FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O Show InChI InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2 | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR wild-type (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in presen... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427318
(CHEMBL2325707)Show SMILES CN1CCC(CC1)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O Show InChI InChI=1S/C23H29N5O3S/c1-27-10-7-23(8-11-27,32(2,29)30)20-16-21(28-12-14-31-15-13-28)26-22(25-20)18-4-3-5-19-17(18)6-9-24-19/h3-6,9,16,24H,7-8,10-15H2,1-2H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50576809
(CHEMBL4879321)Show SMILES CNC(=O)c1cc2C[C@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F |r| | 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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells assessed as inhibition of R1881-stimulated receptor transcri... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00032
BindingDB Entry DOI: 10.7270/Q2668J06 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427301
(CHEMBL2325724)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(cc2[nH]ccc12)C#N)N1CCOCC1 Show InChI InChI=1S/C21H21N5O3S/c1-30(27,28)21(3-4-21)18-12-19(26-6-8-29-9-7-26)25-20(24-18)16-10-14(13-22)11-17-15(16)2-5-23-17/h2,5,10-12,23H,3-4,6-9H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ... |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50576810
(CHEMBL4865182)Show SMILES CNC(=O)c1cc2C[C@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F |r| | 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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at wild type androgen receptor in castration-resistant human LNCaP cells assessed as inhibition of R1881-stimulated receptor tran... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00032
BindingDB Entry DOI: 10.7270/Q2668J06 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570257
(CHEMBL4862827)Show SMILES Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)cc2)C2(CCC2)C1=O | 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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR wild-type (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in presen... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50576810
(CHEMBL4865182)Show SMILES CNC(=O)c1cc2C[C@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F |r| | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells assessed as inhibition of R1881-stimulated receptor transcri... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00032
BindingDB Entry DOI: 10.7270/Q2668J06 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570262
(CHEMBL4879319)Show SMILES Cc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O | 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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570258
(CHEMBL4859502)Show SMILES CN1CCC(CC1)Oc1ccc(cn1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F | 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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this
Ligand-Target Pair | |
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