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Patent code US10954253

Compile Data Set for Download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488543
PNG
(US10954253, Compound 50)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(OC4CC4)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H38N8O2/c1-3-17-39-30(41)26-22-33-31(36-29(26)40(39)27-5-4-6-28(35-27)42-25-11-12-25)34-23-7-9-24(10-8-23)38-20-15-32(16-21-38)13-18-37(2)19-14-32/h3-10,22,25H,1,11-21H2,2H3,(H,33,34,36)
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n/an/a 2.5n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488544
PNG
(US10954253, Compound 51)
Show SMILES CCOc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C31H38N8O2/c1-4-17-38-29(40)25-22-32-30(35-28(25)39(38)26-7-6-8-27(34-26)41-5-2)33-23-9-11-24(12-10-23)37-20-15-31(16-21-37)13-18-36(3)19-14-31/h4,6-12,22H,1,5,13-21H2,2-3H3,(H,32,33,35)
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n/an/a 2.80n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488540
PNG
(US10954253, Compound 47 | US10954253, Compound 52)
Show SMILES COc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C30H36N8O2/c1-4-16-37-28(39)24-21-31-29(34-27(24)38(37)25-6-5-7-26(33-25)40-3)32-22-8-10-23(11-9-22)36-19-14-30(15-20-36)12-17-35(2)18-13-30/h4-11,21H,1,12-20H2,2-3H3,(H,31,32,34)
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n/an/a 3n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488542
PNG
(US10954253, Compound 49)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(F)F)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C31H36F2N8O/c1-4-16-40-28(42)24-21-34-29(37-27(24)41(40)26-7-5-6-25(36-26)30(2,32)33)35-22-8-10-23(11-9-22)39-19-14-31(15-20-39)12-17-38(3)18-13-31/h4-11,21H,1,12-20H2,2-3H3,(H,34,35,37)
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n/an/a 3.10n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488566
PNG
(US10954253, Compound 73)
Show SMILES COC1(COC1)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C33H40N8O3/c1-4-16-40-30(42)26-21-34-31(37-29(26)41(40)28-7-5-6-27(36-28)33(43-3)22-44-23-33)35-24-8-10-25(11-9-24)39-19-14-32(15-20-39)12-17-38(2)18-13-32/h4-11,21H,1,12-20,22-23H2,2-3H3,(H,34,35,37)
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n/an/a 5.30n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488562
PNG
(US10954253, Compound 69)
Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CC4)C4COC4)CC3)nc12
Show InChI InChI=1S/C34H42N8O3/c1-4-16-41-31(43)27-21-35-32(38-30(27)42(41)29-7-5-6-28(37-29)33(2,3)44)36-24-8-10-25(11-9-24)39-17-12-34(13-18-39)14-19-40(20-15-34)26-22-45-23-26/h4-11,21,26,44H,1,12-20,22-23H2,2-3H3,(H,35,36,38)
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n/an/a 5.70n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488541
PNG
(US10954253, Compound 48)
Show SMILES CC(C)Oc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C32H40N8O2/c1-5-17-39-30(41)26-22-33-31(36-29(26)40(39)27-7-6-8-28(35-27)42-23(2)3)34-24-9-11-25(12-10-24)38-20-15-32(16-21-38)13-18-37(4)19-14-32/h5-12,22-23H,1,13-21H2,2-4H3,(H,33,34,36)
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n/an/a 6.30n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488538
PNG
(US10954253, Compound 45)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2CC2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H38N8O/c1-3-17-39-30(41)26-22-33-31(36-29(26)40(39)28-6-4-5-27(35-28)23-7-8-23)34-24-9-11-25(12-10-24)38-20-15-32(16-21-38)13-18-37(2)19-14-32/h3-6,9-12,22-23H,1,7-8,13-21H2,2H3,(H,33,34,36)
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n/an/a 7.40n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488565
PNG
(US10954253, Compound 72)
Show SMILES COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CC(F)(F)C2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H37F2N9O3/c1-3-15-43-29(45)25-20-36-30(39-28(25)44(43)27-6-4-5-26(38-27)42-21-33(34,35)22-42)37-23-7-9-24(10-8-23)40-16-11-32(12-17-40)13-18-41(19-14-32)31(46)47-2/h3-10,20H,1,11-19,21-22H2,2H3,(H,36,37,39)
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n/an/a 8.20n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488556
PNG
(US10954253, Compound 63)
Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CC#N)CC4)CC3)nc12
Show InChI InChI=1S/C33H39N9O2/c1-4-17-41-30(43)26-23-35-31(38-29(26)42(41)28-7-5-6-27(37-28)32(2,3)44)36-24-8-10-25(11-9-24)40-20-14-33(15-21-40)12-18-39(19-13-33)22-16-34/h4-11,23,44H,1,12-15,17-22H2,2-3H3,(H,35,36,38)
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n/an/a 8.30n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488570
PNG
(US10954253, Compound 77)
Show SMILES FC1(COC1)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCNCC4)CC3)nc12
Show InChI InChI=1S/C31H35FN8O2/c1-2-16-39-28(41)24-19-34-29(37-27(24)40(39)26-5-3-4-25(36-26)31(32)20-42-21-31)35-22-6-8-23(9-7-22)38-17-12-30(13-18-38)10-14-33-15-11-30/h2-9,19,33H,1,10-18,20-21H2,(H,34,35,37)
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n/an/a 9n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488557
PNG
(US10954253, Compound 64)
Show SMILES COCCN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C34H44N8O3/c1-5-17-41-31(43)27-24-35-32(38-30(27)42(41)29-8-6-7-28(37-29)33(2,3)44)36-25-9-11-26(12-10-25)40-20-15-34(16-21-40)13-18-39(19-14-34)22-23-45-4/h5-12,24,44H,1,13-23H2,2-4H3,(H,35,36,38)
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n/an/a 9.90n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488536
PNG
(US10954253, Compound 43)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(F)COC2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H37FN8O2/c1-3-15-40-29(42)25-20-34-30(37-28(25)41(40)27-6-4-5-26(36-27)32(33)21-43-22-32)35-23-7-9-24(10-8-23)39-18-13-31(14-19-39)11-16-38(2)17-12-31/h3-10,20H,1,11-19,21-22H2,2H3,(H,34,35,37)
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n/an/a 12.1n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488537
PNG
(US10954253, Compound 44)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CCCC2=O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H39N9O2/c1-3-17-41-31(44)26-23-34-32(37-30(26)42(41)28-7-4-6-27(36-28)40-18-5-8-29(40)43)35-24-9-11-25(12-10-24)39-21-15-33(16-22-39)13-19-38(2)20-14-33/h3-4,6-7,9-12,23H,1,5,8,13-22H2,2H3,(H,34,35,37)
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n/an/a 12.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488560
PNG
(US10954253, Compound 67)
Show SMILES CC(C)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C32H40N8O/c1-5-17-39-30(41)26-22-33-31(36-29(26)40(39)28-8-6-7-27(35-28)23(2)3)34-24-9-11-25(12-10-24)38-20-15-32(16-21-38)13-18-37(4)19-14-32/h5-12,22-23H,1,13-21H2,2-4H3,(H,33,34,36)
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n/an/a 12.8n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488567
PNG
(US10954253, Compound 74)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)[C@@](C)(O)C(F)(F)F)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H37F3N8O2/c1-4-16-42-28(44)24-21-36-29(39-27(24)43(42)26-7-5-6-25(38-26)30(2,45)32(33,34)35)37-22-8-10-23(11-9-22)41-19-14-31(15-20-41)12-17-40(3)18-13-31/h4-11,21,45H,1,12-20H2,2-3H3,(H,36,37,39)/t30-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488569
PNG
(US10954253, Compound 76)
Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCNCC4)CC3)nc12
Show InChI InChI=1S/C31H38N8O2/c1-4-18-38-28(40)24-21-33-29(36-27(24)39(38)26-7-5-6-25(35-26)30(2,3)41)34-22-8-10-23(11-9-22)37-19-14-31(15-20-37)12-16-32-17-13-31/h4-11,21,32,41H,1,12-20H2,2-3H3,(H,33,34,36)
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n/an/a 13n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488534
PNG
(US10954253, Compound 41)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(O)C(F)(F)F)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H37F3N8O2/c1-4-16-42-28(44)24-21-36-29(39-27(24)43(42)26-7-5-6-25(38-26)30(2,45)32(33,34)35)37-22-8-10-23(11-9-22)41-19-14-31(15-20-41)12-17-40(3)18-13-31/h4-11,21,45H,1,12-20H2,2-3H3,(H,36,37,39)
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n/an/a 13.1n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488522
PNG
(US10954253, Compound 28)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(F)cn2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C29H33FN8O/c1-3-14-37-27(39)24-20-32-28(34-26(24)38(37)25-9-4-21(30)19-31-25)33-22-5-7-23(8-6-22)36-17-12-29(13-18-36)10-15-35(2)16-11-29/h3-9,19-20H,1,10-18H2,2H3,(H,32,33,34)
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n/an/a 13.2n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488523
PNG
(US10954253, Compound 29)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H40N8O2/c1-5-17-39-29(41)25-22-33-30(36-28(25)40(39)27-8-6-7-26(35-27)31(2,3)42)34-23-9-11-24(12-10-23)38-20-15-32(16-21-38)13-18-37(4)19-14-32/h5-12,22,42H,1,13-21H2,2-4H3,(H,33,34,36)
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n/an/a 13.4n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488520
PNG
(US10954253, Compound 26)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(Cl)cn2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C29H33ClN8O/c1-3-14-37-27(39)24-20-32-28(34-26(24)38(37)25-9-4-21(30)19-31-25)33-22-5-7-23(8-6-22)36-17-12-29(13-18-36)10-15-35(2)16-11-29/h3-9,19-20H,1,10-18H2,2H3,(H,32,33,34)
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n/an/a 14.1n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488553
PNG
(US10954253, Compound 60)
Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CCF)CC4)CC3)nc12
Show InChI InChI=1S/C33H41FN8O2/c1-4-17-41-30(43)26-23-35-31(38-29(26)42(41)28-7-5-6-27(37-28)32(2,3)44)36-24-8-10-25(11-9-24)40-20-14-33(15-21-40)12-18-39(19-13-33)22-16-34/h4-11,23,44H,1,12-22H2,2-3H3,(H,35,36,38)
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n/an/a 14.8n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488525
PNG
(US10954253, Compound 31)
Show SMILES COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H40N8O4/c1-5-17-40-29(42)25-22-34-30(37-28(25)41(40)27-8-6-7-26(36-27)32(2,3)44)35-23-9-11-24(12-10-23)38-18-13-33(14-19-38)15-20-39(21-16-33)31(43)45-4/h5-12,22,44H,1,13-21H2,2-4H3,(H,34,35,37)
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n/an/a 15n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488559
PNG
(US10954253, Compound 66)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)CC(F)(F)C2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H38F2N8O2/c1-3-15-42-29(44)25-20-36-30(39-28(25)43(42)27-6-4-5-26(38-27)32(45)21-33(34,35)22-32)37-23-7-9-24(10-8-23)41-18-13-31(14-19-41)11-16-40(2)17-12-31/h3-10,20,45H,1,11-19,21-22H2,2H3,(H,36,37,39)
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n/an/a 15n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488554
PNG
(US10954253, Compound 61)
Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CC(F)F)CC4)CC3)nc12
Show InChI InChI=1S/C33H40F2N8O2/c1-4-16-42-30(44)25-21-36-31(39-29(25)43(42)28-7-5-6-26(38-28)32(2,3)45)37-23-8-10-24(11-9-23)41-19-14-33(15-20-41)12-17-40(18-13-33)22-27(34)35/h4-11,21,27,45H,1,12-20,22H2,2-3H3,(H,36,37,39)
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n/an/a 15.7n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488564
PNG
(US10954253, Compound 71)
Show SMILES COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)COC2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H38N8O5/c1-3-15-40-29(42)25-20-34-30(37-28(25)41(40)27-6-4-5-26(36-27)33(44)21-46-22-33)35-23-7-9-24(10-8-23)38-16-11-32(12-17-38)13-18-39(19-14-32)31(43)45-2/h3-10,20,44H,1,11-19,21-22H2,2H3,(H,34,35,37)
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n/an/a 15.7n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488568
PNG
(US10954253, Compound 75)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)[C@](C)(O)C(F)(F)F)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H37F3N8O2/c1-4-16-42-28(44)24-21-36-29(39-27(24)43(42)26-7-5-6-25(38-26)30(2,45)32(33,34)35)37-22-8-10-23(11-9-22)41-19-14-31(15-20-41)12-17-40(3)18-13-31/h4-11,21,45H,1,12-20H2,2-3H3,(H,36,37,39)/t30-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488535
PNG
(US10954253, Compound 42)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)COC2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H38N8O3/c1-3-15-39-29(41)25-20-33-30(36-28(25)40(39)27-6-4-5-26(35-27)32(42)21-43-22-32)34-23-7-9-24(10-8-23)38-18-13-31(14-19-38)11-16-37(2)17-12-31/h3-10,20,42H,1,11-19,21-22H2,2H3,(H,33,34,36)
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n/an/a 17.4n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488563
PNG
(US10954253, Compound 70)
Show SMILES COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(=O)N(C)C)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H39N9O4/c1-5-17-41-29(43)25-22-34-31(37-28(25)42(41)27-8-6-7-26(36-27)30(44)38(2)3)35-23-9-11-24(12-10-23)39-18-13-33(14-19-39)15-20-40(21-16-33)32(45)46-4/h5-12,22H,1,13-21H2,2-4H3,(H,34,35,37)
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n/an/a 20.3n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488519
PNG
(US10954253, Compound 25)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(Cl)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C29H33ClN8O/c1-3-15-37-27(39)23-20-31-28(34-26(23)38(37)25-6-4-5-24(30)33-25)32-21-7-9-22(10-8-21)36-18-13-29(14-19-36)11-16-35(2)17-12-29/h3-10,20H,1,11-19H2,2H3,(H,31,32,34)
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n/an/a 20.4n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488531
PNG
(US10954253, Compound 38)
Show SMILES COc1cc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)ccc1N1CCC2(CCN(C)CC2)CC1
Show InChI InChI=1S/C33H42N8O3/c1-6-16-40-30(42)24-22-34-31(37-29(24)41(40)28-9-7-8-27(36-28)32(2,3)43)35-23-10-11-25(26(21-23)44-5)39-19-14-33(15-20-39)12-17-38(4)18-13-33/h6-11,21-22,43H,1,12-20H2,2-5H3,(H,34,35,37)
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n/an/a 20.7n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488552
PNG
(US10954253, Compound 59)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)P(C)(C)=O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C31H39N8O2P/c1-5-17-38-29(40)25-22-32-30(35-28(25)39(38)26-7-6-8-27(34-26)42(3,4)41)33-23-9-11-24(12-10-23)37-20-15-31(16-21-37)13-18-36(2)19-14-31/h5-12,22H,1,13-21H2,2-4H3,(H,32,33,35)
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n/an/a 22.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488496
PNG
(US10954253, Compound 3)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccn2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C29H34N8O/c1-3-16-36-27(38)24-21-31-28(33-26(24)37(36)25-6-4-5-15-30-25)32-22-7-9-23(10-8-22)35-19-13-29(14-20-35)11-17-34(2)18-12-29/h3-10,15,21H,1,11-14,16-20H2,2H3,(H,31,32,33)
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n/an/a 24.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488521
PNG
(US10954253, Compound 27)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(F)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C29H33FN8O/c1-3-15-37-27(39)23-20-31-28(34-26(23)38(37)25-6-4-5-24(30)33-25)32-21-7-9-22(10-8-21)36-18-13-29(14-19-36)11-16-35(2)17-12-29/h3-10,20H,1,11-19H2,2H3,(H,31,32,34)
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n/an/a 24.9n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488508
PNG
(US10954253, Compound 12)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(Cl)cc2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C30H34ClN7O/c1-3-16-37-28(39)26-21-32-29(34-27(26)38(37)25-8-4-22(31)5-9-25)33-23-6-10-24(11-7-23)36-19-14-30(15-20-36)12-17-35(2)18-13-30/h3-11,21H,1,12-20H2,2H3,(H,32,33,34)
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n/an/a 25.3n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488561
PNG
(US10954253, Compound 68)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(C)CC2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H40N8O/c1-4-18-40-30(42)26-23-34-31(37-29(26)41(40)28-7-5-6-27(36-28)32(2)12-13-32)35-24-8-10-25(11-9-24)39-21-16-33(17-22-39)14-19-38(3)20-15-33/h4-11,23H,1,12-22H2,2-3H3,(H,34,35,37)
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n/an/a 30.4n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488533
PNG
(US10954253, Compound 40)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)CCC2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H40N8O2/c1-3-18-40-30(42)26-23-34-31(37-29(26)41(40)28-7-4-6-27(36-28)33(43)12-5-13-33)35-24-8-10-25(11-9-24)39-21-16-32(17-22-39)14-19-38(2)20-15-32/h3-4,6-11,23,43H,1,5,12-22H2,2H3,(H,34,35,37)
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n/an/a 30.7n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488511
PNG
(US10954253, Compound 15)
Show SMILES CN(C)C(=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C32H39N9O2/c1-5-17-40-29(42)25-22-33-31(36-28(25)41(40)27-8-6-7-26(35-27)30(43)37(2)3)34-23-9-11-24(12-10-23)39-20-15-32(16-21-39)13-18-38(4)19-14-32/h5-12,22H,1,13-21H2,2-4H3,(H,33,34,36)
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n/an/a 31.5n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488571
PNG
(US10954253, Compound 78)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3C(=O)[N](CC=C)=[N](c3n2)c2cccc(n2)C(C)(O)C(F)F)cc1
Show InChI InChI=1S/C32H38F2N8O2/c1-4-16-41-28(43)24-21-35-30(38-27(24)42(41)26-7-5-6-25(37-26)31(2,44)29(33)34)36-22-8-10-23(11-9-22)40-19-14-32(15-20-40)12-17-39(3)18-13-32/h4-11,21,29,44H,1,12-20H2,2-3H3,(H,35,36,38)
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n/an/a 32n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488555
PNG
(US10954253, Compound 62)
Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CCC#N)CC4)CC3)nc12
Show InChI InChI=1S/C34H41N9O2/c1-4-18-42-31(44)27-24-36-32(39-30(27)43(42)29-8-5-7-28(38-29)33(2,3)45)37-25-9-11-26(12-10-25)41-22-15-34(16-23-41)13-20-40(21-14-34)19-6-17-35/h4-5,7-12,24,45H,1,6,13-16,18-23H2,2-3H3,(H,36,37,39)
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n/an/a 36.1n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488558
PNG
(US10954253, Compound 65)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(F)CC(F)(F)C2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H37F3N8O/c1-3-15-43-29(45)25-20-37-30(40-28(25)44(43)27-6-4-5-26(39-27)32(34)21-33(35,36)22-32)38-23-7-9-24(10-8-23)42-18-13-31(14-19-42)11-16-41(2)17-12-31/h3-10,20H,1,11-19,21-22H2,2H3,(H,37,38,40)
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n/an/a 41.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488509
PNG
(US10954253, Compound 13)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(N)=O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C30H35N9O2/c1-3-15-38-28(41)23-20-32-29(35-27(23)39(38)25-6-4-5-24(34-25)26(31)40)33-21-7-9-22(10-8-21)37-18-13-30(14-19-37)11-16-36(2)17-12-30/h3-10,20H,1,11-19H2,2H3,(H2,31,40)(H,32,33,35)
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n/an/a 42n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488513
PNG
(US10954253, Compound 17)
Show SMILES CNC(=O)c1cccc(c1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C32H38N8O2/c1-4-16-39-30(42)27-22-34-31(36-28(27)40(39)26-7-5-6-23(21-26)29(41)33-2)35-24-8-10-25(11-9-24)38-19-14-32(15-20-38)12-17-37(3)18-13-32/h4-11,21-22H,1,12-20H2,2-3H3,(H,33,41)(H,34,35,36)
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n/an/a 42.5n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488572
PNG
(US10954253, Compound 79)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC(F)=C)c3=O)cc1
Show InChI InChI=1S/C32H39FN8O2/c1-22(33)21-40-29(42)25-20-34-30(37-28(25)41(40)27-7-5-6-26(36-27)31(2,3)43)35-23-8-10-24(11-9-23)39-18-14-32(15-19-39)12-16-38(4)17-13-32/h5-11,20,43H,1,12-19,21H2,2-4H3,(H,34,35,37)
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n/an/a 43n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488495
PNG
(US10954253, Compound 2)
Show SMILES C=CCn1n(-c2ccccc2)c2nc(Nc3ccc(cc3)N3CCC4(CCNCC4)CC3)ncc2c1=O
Show InChI InChI=1S/C29H33N7O/c1-2-18-35-27(37)25-21-31-28(33-26(25)36(35)24-6-4-3-5-7-24)32-22-8-10-23(11-9-22)34-19-14-29(15-20-34)12-16-30-17-13-29/h2-11,21,30H,1,12-20H2,(H,31,32,33)
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n/an/a 43.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488539
PNG
(US10954253, Compound 46)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(F)(F)F)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C30H33F3N8O/c1-3-15-40-27(42)23-20-34-28(37-26(23)41(40)25-6-4-5-24(36-25)30(31,32)33)35-21-7-9-22(10-8-21)39-18-13-29(14-19-39)11-16-38(2)17-12-29/h3-10,20H,1,11-19H2,2H3,(H,34,35,37)
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n/an/a 44.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488550
PNG
(US10954253, Compound 57)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CCOC2=O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H37N9O3/c1-3-15-40-29(42)25-22-33-30(36-28(25)41(40)27-6-4-5-26(35-27)39-20-21-44-31(39)43)34-23-7-9-24(10-8-23)38-18-13-32(14-19-38)11-16-37(2)17-12-32/h3-10,22H,1,11-21H2,2H3,(H,33,34,36)
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n/an/a 47n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488510
PNG
(US10954253, Compound 14)
Show SMILES CNC(=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C31H37N9O2/c1-4-16-39-29(42)24-21-33-30(36-27(24)40(39)26-7-5-6-25(35-26)28(41)32-2)34-22-8-10-23(11-9-22)38-19-14-31(15-20-38)12-17-37(3)18-13-31/h4-11,21H,1,12-20H2,2-3H3,(H,32,41)(H,33,34,36)
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n/an/a 47.8n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488507
PNG
(US10954253, Compound 11)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(Cl)c2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C30H34ClN7O/c1-3-15-37-28(39)26-21-32-29(34-27(26)38(37)25-6-4-5-22(31)20-25)33-23-7-9-24(10-8-23)36-18-13-30(14-19-36)11-16-35(2)17-12-30/h3-10,20-21H,1,11-19H2,2H3,(H,32,33,34)
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n/an/a 48.1n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488518
PNG
(US10954253, Compound 24)
Show SMILES CCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)ncc2c1=O
Show InChI InChI=1S/C32H42N8O2/c1-5-17-39-29(41)25-22-33-30(36-28(25)40(39)27-8-6-7-26(35-27)31(2,3)42)34-23-9-11-24(12-10-23)38-20-15-32(16-21-38)13-18-37(4)19-14-32/h6-12,22,42H,5,13-21H2,1-4H3,(H,33,34,36)
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n/an/a 48.8n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488573
PNG
(US10954253, Compound 80)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(F)c(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H39FN8O2/c1-5-16-40-29(42)24-21-34-30(37-28(24)41(40)26-11-10-25(33)27(36-26)31(2,3)43)35-22-6-8-23(9-7-22)39-19-14-32(15-20-39)12-17-38(4)18-13-32/h5-11,21,43H,1,12-20H2,2-4H3,(H,34,35,37)
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n/an/a 49n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488505
PNG
(US10954253, Compound 8)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccsc2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C28H33N7OS/c1-3-13-34-26(36)24-19-29-27(31-25(24)35(34)23-8-18-37-20-23)30-21-4-6-22(7-5-21)33-16-11-28(12-17-33)9-14-32(2)15-10-28/h3-8,18-20H,1,9-17H2,2H3,(H,29,30,31)
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n/an/a 51.9n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488512
PNG
(US10954253, Compound 16)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(c2)C(N)=O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C31H36N8O2/c1-3-15-38-29(41)26-21-33-30(35-28(26)39(38)25-6-4-5-22(20-25)27(32)40)34-23-7-9-24(10-8-23)37-18-13-31(14-19-37)11-16-36(2)17-12-31/h3-10,20-21H,1,11-19H2,2H3,(H2,32,40)(H,33,34,35)
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n/an/a 52.8n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488547
PNG
(US10954253, Compound 54)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(OC4CCC4)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H40N8O2/c1-3-18-40-31(42)27-23-34-32(37-30(27)41(40)28-8-5-9-29(36-28)43-26-6-4-7-26)35-24-10-12-25(13-11-24)39-21-16-33(17-22-39)14-19-38(2)20-15-33/h3,5,8-13,23,26H,1,4,6-7,14-22H2,2H3,(H,34,35,37)
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n/an/a 57n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488529
PNG
(US10954253, Compound 36)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1C
Show InChI InChI=1S/C33H42N8O2/c1-6-16-40-30(42)25-22-34-31(37-29(25)41(40)28-9-7-8-27(36-28)32(3,4)43)35-24-10-11-26(23(2)21-24)39-19-14-33(15-20-39)12-17-38(5)18-13-33/h6-11,21-22,43H,1,12-20H2,2-5H3,(H,34,35,37)
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n/an/a 57.1n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488524
PNG
(US10954253, Compound 30)
Show SMILES CC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H40N8O3/c1-5-17-40-30(43)26-22-34-31(37-29(26)41(40)28-8-6-7-27(36-28)32(3,4)44)35-24-9-11-25(12-10-24)39-20-15-33(16-21-39)13-18-38(19-14-33)23(2)42/h5-12,22,44H,1,13-21H2,2-4H3,(H,34,35,37)
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n/an/a 58.8n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488546
PNG
(US10954253, Compound 53)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(OC4COC4)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C32H38N8O3/c1-3-15-39-30(41)26-20-33-31(36-29(26)40(39)27-5-4-6-28(35-27)43-25-21-42-22-25)34-23-7-9-24(10-8-23)38-18-13-32(14-19-38)11-16-37(2)17-12-32/h3-10,20,25H,1,11-19,21-22H2,2H3,(H,33,34,36)
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n/an/a 63n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488526
PNG
(US10954253, Compound 32)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)nc1
Show InChI InChI=1S/C31H39N9O2/c1-5-15-39-28(41)23-21-33-29(36-27(23)40(39)26-8-6-7-24(34-26)30(2,3)42)35-25-10-9-22(20-32-25)38-18-13-31(14-19-38)11-16-37(4)17-12-31/h5-10,20-21,42H,1,11-19H2,2-4H3,(H,32,33,35,36)
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n/an/a 64.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488492
PNG
(US10954253, Compound 1)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C30H35N7O/c1-3-17-36-28(38)26-22-31-29(33-27(26)37(36)25-7-5-4-6-8-25)32-23-9-11-24(12-10-23)35-20-15-30(16-21-35)13-18-34(2)19-14-30/h3-12,22H,1,13-21H2,2H3,(H,31,32,33)
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n/an/a 67.4n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488540
PNG
(US10954253, Compound 47 | US10954253, Compound 52)
Show SMILES COc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C30H36N8O2/c1-4-16-37-28(39)24-21-31-29(34-27(24)38(37)25-6-5-7-26(33-25)40-3)32-22-8-10-23(11-9-22)36-19-14-30(15-20-36)12-17-35(2)18-13-30/h4-11,21H,1,12-20H2,2-3H3,(H,31,32,34)
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n/an/a 71n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488551
PNG
(US10954253, Compound 58)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CCN(C(=O)OC(C)(C)C)C2=O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C37H46N10O4/c1-6-18-46-32(48)28-25-38-33(39-26-10-12-27(13-11-26)43-21-16-37(17-22-43)14-19-42(5)20-15-37)41-31(28)47(46)30-9-7-8-29(40-30)44-23-24-45(34(44)49)35(50)51-36(2,3)4/h6-13,25H,1,14-24H2,2-5H3,(H,38,39,41)
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n/an/a 73n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488549
PNG
(US10954253, Compound 56)
Show SMILES CN1CCN(C1=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
Show InChI InChI=1S/C33H40N10O2/c1-4-16-42-30(44)26-23-34-31(37-29(26)43(42)28-7-5-6-27(36-28)41-22-21-39(3)32(41)45)35-24-8-10-25(11-9-24)40-19-14-33(15-20-40)12-17-38(2)18-13-33/h4-11,23H,1,12-22H2,2-3H3,(H,34,35,37)
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n/an/a 74n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488517
PNG
(US10954253, Compound 23)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(Cc2ccccc2)c3=O)cc1
Show InChI InChI=1S/C34H37N7O/c1-38-20-16-34(17-21-38)18-22-39(23-19-34)28-14-12-27(13-15-28)36-33-35-24-30-31(37-33)41(29-10-6-3-7-11-29)40(32(30)42)25-26-8-4-2-5-9-26/h2-15,24H,16-23,25H2,1H3,(H,35,36,37)
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n/an/a 79.6n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488504
PNG
(US10954253, Compound 7)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccs2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C28H33N7OS/c1-3-14-34-26(36)23-20-29-27(31-25(23)35(34)24-5-4-19-37-24)30-21-6-8-22(9-7-21)33-17-12-28(13-18-33)10-15-32(2)16-11-28/h3-9,19-20H,1,10-18H2,2H3,(H,29,30,31)
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n/an/a 82.5n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488515
PNG
(US10954253, Compound 19)
Show SMILES CCn1n(-c2ccccc2)c2nc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)ncc2c1=O
Show InChI InChI=1S/C29H35N7O/c1-3-35-27(37)25-21-30-28(32-26(25)36(35)24-7-5-4-6-8-24)31-22-9-11-23(12-10-22)34-19-15-29(16-20-34)13-17-33(2)18-14-29/h4-12,21H,3,13-20H2,1-2H3,(H,30,31,32)
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n/an/a 83.2n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488548
PNG
(US10954253, Compound 55)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(O[C@H]4CCOC4)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C33H40N8O3/c1-3-16-40-31(42)27-22-34-32(37-30(27)41(40)28-5-4-6-29(36-28)44-26-11-21-43-23-26)35-24-7-9-25(10-8-24)39-19-14-33(15-20-39)12-17-38(2)18-13-33/h3-10,22,26H,1,11-21,23H2,2H3,(H,34,35,37)/t26-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488499
PNG
(US10954253, Compound 5)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cnccn2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C28H33N9O/c1-3-14-36-26(38)23-19-31-27(33-25(23)37(36)24-20-29-12-13-30-24)32-21-4-6-22(7-5-21)35-17-10-28(11-18-35)8-15-34(2)16-9-28/h3-7,12-13,19-20H,1,8-11,14-18H2,2H3,(H,31,32,33)
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n/an/a 90.4n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488503
PNG
(US10954253, Compound 6)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cncnc2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C28H33N9O/c1-3-12-36-26(38)24-19-31-27(33-25(24)37(36)23-17-29-20-30-18-23)32-21-4-6-22(7-5-21)35-15-10-28(11-16-35)8-13-34(2)14-9-28/h3-7,17-20H,1,8-16H2,2H3,(H,31,32,33)
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n/an/a 102n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488506
PNG
(US10954253, Compound 9)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2nccs2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C27H32N8OS/c1-3-13-34-24(36)22-19-29-25(31-23(22)35(34)26-28-12-18-37-26)30-20-4-6-21(7-5-20)33-16-10-27(11-17-33)8-14-32(2)15-9-27/h3-7,12,18-19H,1,8-11,13-17H2,2H3,(H,29,30,31)
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n/an/a 109n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488527
PNG
(US10954253, Compound 34)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1F
Show InChI InChI=1S/C32H39FN8O2/c1-5-15-40-29(42)23-21-34-30(37-28(23)41(40)27-8-6-7-26(36-27)31(2,3)43)35-22-9-10-25(24(33)20-22)39-18-13-32(14-19-39)11-16-38(4)17-12-32/h5-10,20-21,43H,1,11-19H2,2-4H3,(H,34,35,37)
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n/an/a 120n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488514
PNG
(US10954253, Compound 18)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(C)c3=O)cc1
Show InChI InChI=1S/C28H33N7O/c1-32-16-12-28(13-17-32)14-18-34(19-15-28)22-10-8-21(9-11-22)30-27-29-20-24-25(31-27)35(33(2)26(24)36)23-6-4-3-5-7-23/h3-11,20H,12-19H2,1-2H3,(H,29,30,31)
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n/an/a 131n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488516
PNG
(US10954253, Compound 22)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(CC(F)F)c3=O)cc1
Show InChI InChI=1S/C29H33F2N7O/c1-35-15-11-29(12-16-35)13-17-36(18-14-29)22-9-7-21(8-10-22)33-28-32-19-24-26(34-28)38(23-5-3-2-4-6-23)37(27(24)39)20-25(30)31/h2-10,19,25H,11-18,20H2,1H3,(H,32,33,34)
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n/an/a 239n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488528
PNG
(US10954253, Compound 35)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)c(C)c1
Show InChI InChI=1S/C33H42N8O2/c1-6-16-40-30(42)25-22-34-31(37-29(25)41(40)28-9-7-8-27(36-28)32(3,4)43)35-26-11-10-24(21-23(26)2)39-19-14-33(15-20-39)12-17-38(5)18-13-33/h6-11,21-22,43H,1,12-20H2,2-5H3,(H,34,35,37)
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n/an/a 241n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488498
PNG
(US10954253, Compound 4)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ncccn2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C28H33N9O/c1-3-15-36-25(38)23-20-31-26(33-24(23)37(36)27-29-13-4-14-30-27)32-21-5-7-22(8-6-21)35-18-11-28(12-19-35)9-16-34(2)17-10-28/h3-8,13-14,20H,1,9-12,15-19H2,2H3,(H,31,32,33)
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n/an/a 251n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488530
PNG
(US10954253, Compound 37)
Show SMILES COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(n1)C(C)(C)O)n(CC=C)c2=O)N1CCC2(CCN(C)CC2)CC1
Show InChI InChI=1S/C33H42N8O3/c1-6-16-40-30(42)24-22-34-31(37-29(24)41(40)28-9-7-8-27(36-28)32(2,3)43)35-25-11-10-23(21-26(25)44-5)39-19-14-33(15-20-39)12-17-38(4)18-13-33/h6-11,21-22,43H,1,12-20H2,2-5H3,(H,34,35,37)
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n/an/a 328n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM488532
PNG
(US10954253, Compound 39)
Show SMILES CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(CC=C)n(-c2ccccc2Cl)c3=O)cc1
Show InChI InChI=1S/C30H34ClN7O/c1-3-16-37-27-24(28(39)38(37)26-7-5-4-6-25(26)31)21-32-29(34-27)33-22-8-10-23(11-9-22)36-19-14-30(15-20-36)12-17-35(2)18-13-30/h3-11,21H,1,12-20H2,2H3,(H,32,33,34)
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n/an/a 620n/an/an/an/an/an/a



SHIJIAZHUANG SAGACITY NEW DRUG DEVELOPMENT CO., LTD.

US Patent


Assay Description
Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Br...


US Patent US10954253 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%