BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 540 hits of ic50 data for polymerid = 10728   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245474
PNG
(US9428503, 1)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by HTRF as...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245537
PNG
(US9428503, 67)
Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C29H35N5O3/c1-32-26-19-30-25-10-6-20(16-24(25)28(26)34(29(32)35)22-8-9-23(17-22)36-2)21-7-11-27(31-18-21)37-15-5-14-33-12-3-4-13-33/h6-7,10-11,16,18-19,22-23H,3-5,8-9,12-15,17H2,1-2H3/t22-,23-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<0.0525n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245542
PNG
(US9428503, 26)
Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O
Show InChI InChI=1/C27H33N5O3/c1-30(2)12-5-13-35-25-11-7-19(16-29-25)18-6-10-23-22(14-18)26-24(17-28-23)31(3)27(33)32(26)20-8-9-21(15-20)34-4/h6-7,10-11,14,16-17,20-21H,5,8-9,12-13,15H2,1-4H3/t20-,21-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.152n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245500
PNG
(US9428503, 28)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C28H33N5O3/c1-31-25-18-29-24-8-6-19(14-23(24)27(25)33(28(31)34)21-15-22(16-21)35-2)20-7-9-26(30-17-20)36-13-5-12-32-10-3-4-11-32/h6-9,14,17-18,21-22H,3-5,10-13,15-16H2,1-2H3/t21-,22+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245500
PNG
(US9428503, 28)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C28H33N5O3/c1-31-25-18-29-24-8-6-19(14-23(24)27(25)33(28(31)34)21-15-22(16-21)35-2)20-7-9-26(30-17-20)36-13-5-12-32-10-3-4-11-32/h6-9,14,17-18,21-22H,3-5,10-13,15-16H2,1-2H3/t21-,22+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.176n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245505
PNG
(US9428503, 33)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C29H35N5O3/c1-32-26-19-30-25-9-7-20(15-24(25)28(26)34(29(32)35)22-16-23(17-22)36-2)21-8-10-27(31-18-21)37-14-6-13-33-11-4-3-5-12-33/h7-10,15,18-19,22-23H,3-6,11-14,16-17H2,1-2H3/t22-,23+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245505
PNG
(US9428503, 33)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C29H35N5O3/c1-32-26-19-30-25-9-7-20(15-24(25)28(26)34(29(32)35)22-16-23(17-22)36-2)21-8-10-27(31-18-21)37-14-6-13-33-11-4-3-5-12-33/h7-10,15,18-19,22-23H,3-6,11-14,16-17H2,1-2H3/t22-,23+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245538
PNG
(US9428503, 68)
Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O
Show InChI InChI=1/C27H32FN5O3/c1-31(2)12-5-13-36-24-11-9-20(26(28)30-24)17-6-10-22-21(14-17)25-23(16-29-22)32(3)27(34)33(25)18-7-8-19(15-18)35-4/h6,9-11,14,16,18-19H,5,7-8,12-13,15H2,1-4H3/t18-,19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.208n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245544
PNG
(US9428503, 65)
Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(NCCCN3CCCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C30H38N6O2/c1-34-27-20-32-26-11-7-21(17-25(26)29(27)36(30(34)37)23-9-10-24(18-23)38-2)22-8-12-28(33-19-22)31-13-6-16-35-14-4-3-5-15-35/h7-8,11-12,17,19-20,23-24H,3-6,9-10,13-16,18H2,1-2H3,(H,31,33)/t23-,24-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.220n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245531
PNG
(US9428503, 59)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1
Show InChI InChI=1/C28H33N5O3/c1-31-25-18-29-24-9-7-20(16-23(24)27(25)33(28(31)34)22-6-4-14-35-19-22)21-8-10-26(30-17-21)36-15-5-13-32-11-2-3-12-32/h7-10,16-18,22H,2-6,11-15,19H2,1H3/t22-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.233n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245501
PNG
(US9428503, 29)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1
Show InChI InChI=1/C28H33N5O3/c1-31-25-18-29-24-9-7-20(16-23(24)27(25)33(28(31)34)22-6-4-14-35-19-22)21-8-10-26(30-17-21)36-15-5-13-32-11-2-3-12-32/h7-10,16-18,22H,2-6,11-15,19H2,1H3/t22-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.238n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245478
PNG
(US9428503, 5)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@H](O)C4)c3c2c1
Show InChI InChI=1/C25H29N5O3/c1-28(2)9-4-10-33-23-8-6-17(14-27-23)16-5-7-21-20(11-16)24-22(15-26-21)29(3)25(32)30(24)18-12-19(31)13-18/h5-8,11,14-15,18-19,31H,4,9-10,12-13H2,1-3H3/t18-,19+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.240n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245478
PNG
(US9428503, 5)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@H](O)C4)c3c2c1
Show InChI InChI=1/C25H29N5O3/c1-28(2)9-4-10-33-23-8-6-17(14-27-23)16-5-7-21-20(11-16)24-22(15-26-21)29(3)25(32)30(24)18-12-19(31)13-18/h5-8,11,14-15,18-19,31H,4,9-10,12-13H2,1-3H3/t18-,19+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.240n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245475
PNG
(US9428503, 2)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O
Show InChI InChI=1/C26H31N5O3/c1-29(2)10-5-11-34-24-9-7-18(15-28-24)17-6-8-22-21(12-17)25-23(16-27-22)30(3)26(32)31(25)19-13-20(14-19)33-4/h6-9,12,15-16,19-20H,5,10-11,13-14H2,1-4H3/t19-,20+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.249n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245514
PNG
(US9428503, 42)
Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@@H](C4)OC)c3c2c1
Show InChI InChI=1/C25H29N5O3/c1-26-9-4-10-33-23-8-6-17(14-28-23)16-5-7-21-20(11-16)24-22(15-27-21)29(2)25(31)30(24)18-12-19(13-18)32-3/h5-8,11,14-15,18-19,26H,4,9-10,12-13H2,1-3H3/t18-,19+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.249n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245514
PNG
(US9428503, 42)
Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@@H](C4)OC)c3c2c1
Show InChI InChI=1/C25H29N5O3/c1-26-9-4-10-33-23-8-6-17(14-28-23)16-5-7-21-20(11-16)24-22(15-27-21)29(2)25(31)30(24)18-12-19(13-18)32-3/h5-8,11,14-15,18-19,26H,4,9-10,12-13H2,1-3H3/t18-,19+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245475
PNG
(US9428503, 2)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O
Show InChI InChI=1/C26H31N5O3/c1-29(2)10-5-11-34-24-9-7-18(15-28-24)17-6-8-22-21(12-17)25-23(16-27-22)30(3)26(32)31(25)19-13-20(14-19)33-4/h6-9,12,15-16,19-20H,5,10-11,13-14H2,1-4H3/t19-,20+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245510
PNG
(US9428503, 38)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCC3)nc2)n(C)c1=O
Show InChI InChI=1/C27H31N5O3/c1-30-24-17-28-23-7-5-18(13-22(23)26(24)32(27(30)33)20-14-21(15-20)34-2)19-6-8-25(29-16-19)35-12-4-11-31-9-3-10-31/h5-8,13,16-17,20-21H,3-4,9-12,14-15H2,1-2H3/t20-,21+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50459004
PNG
(CHEMBL4217549)
Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1
Show InChI InChI=1S/C26H34N6O3/c1-17(18-9-13-34-14-10-18)29-24-21-15-19(5-7-22(21)30-31-25(24)26(27)33)20-6-8-23(28-16-20)35-12-4-11-32(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H2,27,33)(H,29,30)/t17-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate pretreated for 30 mins followed by substrate addition and measured after 2 hrs by HTRF assa...


ACS Med Chem Lett 9: 809-814 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245510
PNG
(US9428503, 38)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCC3)nc2)n(C)c1=O
Show InChI InChI=1/C27H31N5O3/c1-30-24-17-28-23-7-5-18(13-22(23)26(24)32(27(30)33)20-14-21(15-20)34-2)19-6-8-25(29-16-19)35-12-4-11-31-9-3-10-31/h5-8,13,16-17,20-21H,3-4,9-12,14-15H2,1-2H3/t20-,21+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.292n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245494
PNG
(US9428503, 21)
Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show InChI InChI=1S/C26H30FN5O3/c1-30(2)11-4-12-35-23-8-6-19(25(27)29-23)17-5-7-21-20(15-17)24-22(16-28-21)31(3)26(33)32(24)18-9-13-34-14-10-18/h5-8,15-16,18H,4,9-14H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.301n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245543
PNG
(US9428503, 63)
Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O
Show InChI InChI=1/C27H32FN5O3/c1-31(2)10-5-11-36-25-9-6-17(15-30-25)20-13-21-23(14-22(20)28)29-16-24-26(21)33(27(34)32(24)3)18-7-8-19(12-18)35-4/h6,9,13-16,18-19H,5,7-8,10-12H2,1-4H3/t18-,19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.310n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245530
PNG
(US9428503, 58)
Show SMILES Cn1c2cnc3ccc(cc3c2n(C2CCC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1
Show InChI InChI=1S/C27H31N5O2/c1-30-24-18-28-23-10-8-19(16-22(23)26(24)32(27(30)33)21-6-4-7-21)20-9-11-25(29-17-20)34-15-5-14-31-12-2-3-13-31/h8-11,16-18,21H,2-7,12-15H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.310n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245498
PNG
(US9428503, 25)
Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O
Show InChI InChI=1/C27H33N5O3/c1-30(2)12-5-13-35-25-11-7-19(16-29-25)18-6-10-23-22(14-18)26-24(17-28-23)31(3)27(33)32(26)20-8-9-21(15-20)34-4/h6-7,10-11,14,16-17,20-21H,5,8-9,12-13,15H2,1-4H3/t20-,21-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.315n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245545
PNG
(US9428503, 69)
Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O
Show InChI InChI=1/C27H32FN5O3/c1-31(2)12-5-13-36-24-11-9-20(26(28)30-24)17-6-10-22-21(14-17)25-23(16-29-22)32(3)27(34)33(25)18-7-8-19(15-18)35-4/h6,9-11,14,16,18-19H,5,7-8,12-13,15H2,1-4H3/t18-,19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.324n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245490
PNG
(US9428503, 17)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1
Show InChI InChI=1/C26H31N5O3/c1-29(2)11-5-13-34-24-10-8-19(15-28-24)18-7-9-22-21(14-18)25-23(16-27-22)30(3)26(32)31(25)20-6-4-12-33-17-20/h7-10,14-16,20H,4-6,11-13,17H2,1-3H3/t20-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.329n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245490
PNG
(US9428503, 17)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1
Show InChI InChI=1/C26H31N5O3/c1-29(2)11-5-13-34-24-10-8-19(15-28-24)18-7-9-22-21(14-18)25-23(16-27-22)30(3)26(32)31(25)20-6-4-12-33-17-20/h7-10,14-16,20H,4-6,11-13,17H2,1-3H3/t20-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.330n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245536
PNG
(US9428503, 66)
Show SMILES CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C29H35N5O3/c1-32-26-19-30-25-10-6-20(16-24(25)28(26)34(29(32)35)22-8-9-23(17-22)36-2)21-7-11-27(31-18-21)37-15-5-14-33-12-3-4-13-33/h6-7,10-11,16,18-19,22-23H,3-5,8-9,12-15,17H2,1-2H3/t22-,23-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.334n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245493
PNG
(US9428503, 20)
Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1
Show InChI InChI=1/C26H30FN5O3/c1-30(2)11-5-13-35-23-10-8-19(25(27)29-23)17-7-9-21-20(14-17)24-22(15-28-21)31(3)26(33)32(24)18-6-4-12-34-16-18/h7-10,14-15,18H,4-6,11-13,16H2,1-3H3/t18-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.365n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245499
PNG
(US9428503, 27)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C28H32FN5O3/c1-32-25-17-30-24-15-23(29)21(14-22(24)27(25)34(28(32)35)19-12-20(13-19)36-2)18-6-7-26(31-16-18)37-11-5-10-33-8-3-4-9-33/h6-7,14-17,19-20H,3-5,8-13H2,1-2H3/t19-,20+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.418n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245529
PNG
(US9428503, 57)
Show SMILES Cn1c2cnc3ccc(cc3c2n(C2CCC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1
Show InChI InChI=1S/C28H33N5O2/c1-31-25-19-29-24-11-9-20(17-23(24)27(25)33(28(31)34)22-7-5-8-22)21-10-12-26(30-18-21)35-16-6-15-32-13-3-2-4-14-32/h9-12,17-19,22H,2-8,13-16H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.434n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245488
PNG
(US9428503, 15)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2C[C@H](O)C2)c1=O)-c1ccc(OCCCN2CCCC2)nc1
Show InChI InChI=1/C27H31N5O3/c1-30-24-17-28-23-7-5-18(13-22(23)26(24)32(27(30)34)20-14-21(33)15-20)19-6-8-25(29-16-19)35-12-4-11-31-9-2-3-10-31/h5-8,13,16-17,20-21,33H,2-4,9-12,14-15H2,1H3/t20-,21+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.447n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245527
PNG
(US9428503, 55)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@H]2CCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1
Show InChI InChI=1/C28H33N5O3/c1-31-25-18-29-24-8-6-20(16-23(24)27(25)33(28(31)34)22-10-15-35-19-22)21-7-9-26(30-17-21)36-14-5-13-32-11-3-2-4-12-32/h6-9,16-18,22H,2-5,10-15,19H2,1H3/t22-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.493n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50459016
PNG
(CHEMBL4210045)
Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1nn(C)cc1C
Show InChI InChI=1S/C28H34N8O2/c1-18-17-35(3)34-25(18)19(2)31-26-22-15-20(7-9-23(22)32-33-27(26)28(29)37)21-8-10-24(30-16-21)38-14-6-13-36-11-4-5-12-36/h7-10,15-17,19H,4-6,11-14H2,1-3H3,(H2,29,37)(H,31,32)/t19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay


ACS Med Chem Lett 9: 809-814 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245534
PNG
(US9428503, 62)
Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O
Show InChI InChI=1/C27H32FN5O3/c1-31(2)10-5-11-36-25-9-6-17(15-30-25)20-13-21-23(14-22(20)28)29-16-24-26(21)33(27(34)32(24)3)18-7-8-19(12-18)35-4/h6,9,13-16,18-19H,5,7-8,10-12H2,1-4H3/t18-,19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.507n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245517
PNG
(US9428503, 45)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCOC4)c3c2c1
Show InChI InChI=1/C25H29N5O3/c1-28(2)10-4-11-33-23-8-6-18(14-27-23)17-5-7-21-20(13-17)24-22(15-26-21)29(3)25(31)30(24)19-9-12-32-16-19/h5-8,13-15,19H,4,9-12,16H2,1-3H3/t19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<0.534n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245495
PNG
(US9428503, 22)
Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCOC4)c3c2c1
Show InChI InChI=1/C26H30FN5O3/c1-30(2)11-5-13-35-23-10-8-19(25(27)29-23)17-7-9-21-20(14-17)24-22(15-28-21)31(3)26(33)32(24)18-6-4-12-34-16-18/h7-10,14-15,18H,4-6,11-13,16H2,1-3H3/t18-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.552n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245533
PNG
(US9428503, 61)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1F
Show InChI InChI=1/C28H32FN5O3/c1-32-24-17-30-23-9-7-19(16-22(23)26(24)34(28(32)35)20-6-4-14-36-18-20)21-8-10-25(31-27(21)29)37-15-5-13-33-11-2-3-12-33/h7-10,16-17,20H,2-6,11-15,18H2,1H3/t20-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.554n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245513
PNG
(US9428503, 41)
Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1
Show InChI InChI=1/C25H29N5O3/c1-26-10-4-12-33-23-9-7-18(14-28-23)17-6-8-21-20(13-17)24-22(15-27-21)29(2)25(31)30(24)19-5-3-11-32-16-19/h6-9,13-15,19,26H,3-5,10-12,16H2,1-2H3/t19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.555n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245496
PNG
(US9428503, 23)
Show SMILES Cn1c2cnc3cc(F)c(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1
Show InChI InChI=1/C28H32FN5O3/c1-32-25-17-30-24-15-23(29)21(14-22(24)27(25)34(28(32)35)20-6-4-12-36-18-20)19-7-8-26(31-16-19)37-13-5-11-33-9-2-3-10-33/h7-8,14-17,20H,2-6,9-13,18H2,1H3/t20-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.563n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245512
PNG
(US9428503, 40)
Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show InChI InChI=1S/C25H29N5O3/c1-26-10-3-11-33-23-7-5-18(15-28-23)17-4-6-21-20(14-17)24-22(16-27-21)29(2)25(31)30(24)19-8-12-32-13-9-19/h4-7,14-16,19,26H,3,8-13H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.567n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245474
PNG
(US9428503, 1)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 0.570n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...


J Med Chem 61: 3823-3841 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245474
PNG
(US9428503, 1)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.575n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245507
PNG
(US9428503, 35)
Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)[nH]c1=O
Show InChI InChI=1/C27H31N5O3/c1-34-21-14-20(15-21)32-26-22-13-18(5-7-23(22)28-17-24(26)30-27(32)33)19-6-8-25(29-16-19)35-12-4-11-31-9-2-3-10-31/h5-8,13,16-17,20-21H,2-4,9-12,14-15H2,1H3,(H,30,33)/t20-,21+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.589n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245515
PNG
(US9428503, 43)
Show SMILES CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCOC4)c3c2c1
Show InChI InChI=1/C25H29N5O3/c1-26-10-4-12-33-23-9-7-18(14-28-23)17-6-8-21-20(13-17)24-22(15-27-21)29(2)25(31)30(24)19-5-3-11-32-16-19/h6-9,13-15,19,26H,3-5,10-12,16H2,1-2H3/t19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.592n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245497
PNG
(US9428503, 24)
Show SMILES Cn1c2cnc3cc(F)c(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1
Show InChI InChI=1/C28H32FN5O3/c1-32-25-17-30-24-15-23(29)21(14-22(24)27(25)34(28(32)35)20-6-4-12-36-18-20)19-7-8-26(31-16-19)37-13-5-11-33-9-2-3-10-33/h7-8,14-17,20H,2-6,9-13,18H2,1H3/t20-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.690n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50459003
PNG
(CHEMBL4218854)
Show SMILES CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1
Show InChI InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 0.700n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) using p53 as substrate pretreated for 30 mins followed by substrate addition and measured after 2 hrs by HTRF assa...


ACS Med Chem Lett 9: 809-814 (2018)

More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245526
PNG
(US9428503, 54)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1
Show InChI InChI=1/C28H33N5O3/c1-31-25-18-29-24-8-6-20(16-23(24)27(25)33(28(31)34)22-10-15-35-19-22)21-7-9-26(30-17-21)36-14-5-13-32-11-3-2-4-12-32/h6-9,16-18,22H,2-5,10-15,19H2,1H3/t22-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.715n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245523
PNG
(US9428503, 51)
Show SMILES CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n(C4CCC4)c3c2c1
Show InChI InChI=1S/C25H28FN5O2/c1-29(2)12-5-13-33-22-11-9-18(24(26)28-22)16-8-10-20-19(14-16)23-21(15-27-20)30(3)25(32)31(23)17-6-4-7-17/h8-11,14-15,17H,4-7,12-13H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.722n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM245535
PNG
(US9428503, 64)
Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(NCCCN3CCCCC3)nc2)n(C)c1=O
Show InChI InChI=1/C30H38N6O2/c1-34-27-20-32-26-11-7-21(17-25(26)29(27)36(30(34)37)23-9-10-24(18-23)38-2)22-8-12-28(33-19-22)31-13-6-16-35-14-4-3-5-15-35/h7-8,11-12,17,19-20,23-24H,3-6,9-10,13-16,18H2,1-2H3,(H,31,33)/t23-,24-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.741n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 540 total )  |  Next  |  Last  >>
Jump to: