BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'Serine/threonine-protein kinase ATR'   
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/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103465
PNG
(US8552004, 1.01)
Show SMILES C[C@@H]1COCCN1c1cc(C=S(C)(N)=O)nc(n1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C18H22N6O2S/c1-12-10-26-8-7-24(12)16-9-13(11-27(2,19)25)22-18(23-16)15-4-6-21-17-14(15)3-5-20-17/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,19,25)(H,20,21)/t12-,27?/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 34.0n/an/an/an/a7.437



AstraZeneca AB

US Patent


Assay Description
ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...


US Patent US8552004 (2013)


BindingDB Entry DOI: 10.7270/Q20P0XN6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM103467
PNG
(US8552004, 2.03)
Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C
Show InChI InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.61n/an/an/an/a7.437



AstraZeneca AB

US Patent


Assay Description
ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...


US Patent US8552004 (2013)


BindingDB Entry DOI: 10.7270/Q20P0XN6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM60432
PNG
(US8552004, 2.02)
Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O
Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.75n/an/an/an/a7.437



AstraZeneca AB

US Patent


Assay Description
ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...


US Patent US8552004 (2013)


BindingDB Entry DOI: 10.7270/Q20P0XN6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM97372
PNG
(US20130089624, 1)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@@H]1COCCN1
Show InChI InChI=1S/C26H27N5O4S/c1-16(2)36(32,33)20-9-7-18(8-10-20)22-14-29-26(27)25(30-22)24-13-21(31-35-24)17-3-5-19(6-4-17)23-15-34-12-11-28-23/h3-10,13-14,16,23,28H,11-12,15H2,1-2H3,(H2,27,29)/t23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.503 -53.1 200n/an/an/an/a7.525



Vertex Pharmaceuticals

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay.


US Patent US20130089624 (2013)


BindingDB Entry DOI: 10.7270/Q2PZ57DN
More data for this
Ligand-Target Pair