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Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'reaper' and Initial = 'pm'   
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))
BDBM323383
PNG
(US9630956, Compound I-120)
Show SMILES CCCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
PDB

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Vertex Pharmaceuticals Incorporated

US Patent




US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323385
PNG
(US9630956, Compound I-122)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC2CCCC2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323386
PNG
(Synthesis of 3-[4-(methylaminomethyl)phenyl]isoxaz...)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)-c1ccccc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323387
PNG
(US9630956, Compound I-124)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCC(C)C1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323388
PNG
(US9630956, Compound I-125)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)(C)C#N
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323389
PNG
(US9630956, Compound I-126)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNCCF)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323390
PNG
(US9630956, Compound I-127)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC(F)(F)C2)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323399
PNG
(US9630956, Compound I-136)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1F
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323401
PNG
(US9630956, Compound I-138 | US9630956, Compound I-...)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N |r|
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323401
PNG
(US9630956, Compound I-138 | US9630956, Compound I-...)
Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N |r|
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323403
PNG
(US9630956, Compound I-140)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2(C)CC2)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323404
PNG
(US9630956, Compound I-141)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(F)c(c1)C(C)N
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323405
PNG
(US9630956, Compound I-142)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(C(C)N)c1F
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323406
PNG
(US9630956, Compound I-143)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1(CCCC1)C#N
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323407
PNG
(US9630956, Compound I-144)
Show SMILES CC(C)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323408
PNG
(US9630956, Compound I-145)
Show SMILES CC(C)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CCOC2)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323409
PNG
(US9630956, Compound I-146)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(C)(C)N
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323410
PNG
(US9630956, Compound I-147)
Show SMILES CC(CO)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)(C)C#N
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323411
PNG
(US9630956, Compound I-148)
Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)[nH]c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323319
PNG
(US9630956, Compound I-56)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCCC2)c(F)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323320
PNG
(US9630956, Compound I-57)
Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C1CC1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323286
PNG
(US9630956, Compound I-23 | US9630956, Compound I-5...)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@H]2CCOC2)cc1 |r|
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323323
PNG
(US9630956, Compound I-60)
Show SMILES CC(C)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323324
PNG
(US9630956, Compound I-61)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323325
PNG
(US9630956, Compound I-62)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CC2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323326
PNG
(US9630956, Compound I-63)
Show SMILES CCNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323327
PNG
(US9630956, Compound I-64)
Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(OC)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323329
PNG
(US9630956, Compound I-66)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCOCC1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323331
PNG
(US9630956, Compound I-68)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(C)CC2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323332
PNG
(US9630956, Compound I-69)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2ccoc2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323333
PNG
(US9630956, Compound I-70)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCN2CCCC2=O)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323335
PNG
(US9630956, Compound I-72)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CC2C)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323336
PNG
(US9630956, Compound I-73)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC#N)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323337
PNG
(US9630956, Compound I-74)
Show SMILES CCC(Cn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1)OC
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323340
PNG
(US9630956, Compound I-77)
Show SMILES CC[C@H](C)CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 |r|
PDB

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Vertex Pharmaceuticals Incorporated

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323341
PNG
(US9630956, Compound I-78)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(Br)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323342
PNG
(US9630956, Compound I-79)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C1CC1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323343
PNG
(US9630956, Compound I-80)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(CO)CC2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323344
PNG
(US9630956, Compound I-81)
Show SMILES CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323345
PNG
(US9630956, Compound I-82)
Show SMILES CCC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323346
PNG
(US9630956, Compound I-83)
Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323347
PNG
(US9630956, Compound I-84)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2nccs2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323348
PNG
(US9630956, Compound I-85)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2nccn2C)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323349
PNG
(US9630956, Compound I-86)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CCCO2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323350
PNG
(US9630956, Compound I-87)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CCCCO2)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323351
PNG
(US9630956, Compound I-88)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(CO)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323352
PNG
(US9630956, Compound I-89)
Show SMILES CCc1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323353
PNG
(US9630956, Compound I-90)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(Cl)c1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323354
PNG
(US9630956, Compound I-91)
Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C(=O)NC
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM323355
PNG
(US9630956, Compound I-92)
Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1ccc(=O)n(c1)C1CCCC1
PDB

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US Patent US9630956 (2017)


BindingDB Entry DOI: 10.7270/Q2X63Q2S
More data for this
Ligand-Target Pair
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