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12 similar compounds to monomer 50239747

Compile data set for download or QSAR
Wt: 476.5
BDBM50239751
Wt: 2706.0
BDBM50239753
Wt: 469.6
BDBM50239762
Wt: 457.6
BDBM50239763
Wt: 418.4
BDBM50239764
Wt: 351.3
BDBM50239766
Wt: 275.2
BDBM50239767
Wt: 337.3
BDBM50239768
Wt: 373.4
BDBM50239765
Wt: 395.4
BDBM50239771
Wt: 401.4
BDBM50239770
Wt: 938.1
BDBM50239756

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50239751,50239753,50239762,50239763,50239764,50239766,50239767,50239768,50239765,50239771,50239770,50239756   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239751
PNG
(CHEMBL4076137 | US10214537, Example 481)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2nnc(C)s2)c2c(N)ncnn12
Show InChI InChI=1S/C23H24N8O2S/c1-13-27-28-21(34-13)17-11-18(31-19(17)20(24)25-12-26-31)15-6-5-7-16(10-15)29-8-9-30(14(2)32)23(3,4)22(29)33/h5-7,10-12H,8-9H2,1-4H3,(H2,24,25,26)
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US Patent
n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239771
PNG
(CHEMBL4097190)
Show SMILES CCn1c2ccccc2c(O)c(C(=O)NNC(=O)CCc2ccc(O)cc2)c1=O
Show InChI InChI=1S/C21H21N3O5/c1-2-24-16-6-4-3-5-15(16)19(27)18(21(24)29)20(28)23-22-17(26)12-9-13-7-10-14(25)11-8-13/h3-8,10-11,25,27H,2,9,12H2,1H3,(H,22,26)(H,23,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239751
PNG
(CHEMBL4076137 | US10214537, Example 481)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2nnc(C)s2)c2c(N)ncnn12
Show InChI InChI=1S/C23H24N8O2S/c1-13-27-28-21(34-13)17-11-18(31-19(17)20(24)25-12-26-31)15-6-5-7-16(10-15)29-8-9-30(14(2)32)23(3,4)22(29)33/h5-7,10-12H,8-9H2,1-4H3,(H2,24,25,26)
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n/an/a 3.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Neuromedin-U receptor 1


(Mus musculus)
BDBM50239753
PNG
(CHEMBL4097923)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C125H185N35O33/c1-67(2)55-86(112(182)153-88(57-71-25-11-7-12-26-71)115(185)149-84(32-20-52-138-125(135)136)122(192)159-53-21-33-94(159)119(189)148-80(31-19-51-137-124(133)134)108(178)150-85(103(132)173)61-98(131)168)151-116(186)89(58-72-27-13-8-14-28-72)154-113(183)87(59-73-35-39-75(164)40-36-73)143-100(170)62-139-106(176)78(29-15-17-49-126)146-117(187)91(64-161)155-109(179)81(43-46-96(129)166)142-99(169)63-140-121(191)102(68(3)4)158-118(188)92(65-162)156-120(190)95-34-22-54-160(95)123(193)93(66-163)157-111(181)82(44-47-97(130)167)147-114(184)90(60-74-37-41-76(165)42-38-74)152-110(180)83(45-48-101(171)172)144-104(174)69(5)141-107(177)79(30-16-18-50-127)145-105(175)77(128)56-70-23-9-6-10-24-70/h6-14,23-28,35-42,67-69,77-95,102,161-165H,15-22,29-34,43-66,126-128H2,1-5H3,(H2,129,166)(H2,130,167)(H2,131,168)(H2,132,173)(H,139,176)(H,140,191)(H,141,177)(H,142,169)(H,143,170)(H,144,174)(H,145,175)(H,146,187)(H,147,184)(H,148,189)(H,149,185)(H,150,178)(H,151,186)(H,152,180)(H,153,182)(H,154,183)(H,155,179)(H,156,190)(H,157,181)(H,158,188)(H,171,172)(H4,133,134,137)(H4,135,136,138)/t69-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,102-/s2
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n/an/an/an/a 0.420n/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5228-5234 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00694
BindingDB Entry DOI: 10.7270/Q2S46V4J
More data for this
Ligand-Target Pair
Neuromedin-U receptor 1


(Mus musculus)
BDBM50239756
PNG
(CHEMBL4105671)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C46H59N13O7S/c1-46(24-28-26-54-33-14-5-3-12-31(28)33,58-39(61)36(55-38(60)23-29-10-9-21-67-29)22-27-25-53-32-13-4-2-11-30(27)32)43(66)57-34(15-6-18-51-44(47)48)41(63)59-20-8-17-37(59)40(62)56-35(42(64)65)16-7-19-52-45(49)50/h2-5,9-14,21,25-26,34-37,53-54H,6-8,15-20,22-24H2,1H3,(H,55,60)(H,56,62)(H,57,66)(H,58,61)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t34-,35-,36-,37-,46-/s2
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n/an/an/an/a 8.90n/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5228-5234 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00694
BindingDB Entry DOI: 10.7270/Q2S46V4J
More data for this
Ligand-Target Pair
Neuromedin-U receptor 1


(Homo sapiens (Human))
BDBM50239756
PNG
(CHEMBL4105671)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C46H59N13O7S/c1-46(24-28-26-54-33-14-5-3-12-31(28)33,58-39(61)36(55-38(60)23-29-10-9-21-67-29)22-27-25-53-32-13-4-2-11-30(27)32)43(66)57-34(15-6-18-51-44(47)48)41(63)59-20-8-17-37(59)40(62)56-35(42(64)65)16-7-19-52-45(49)50/h2-5,9-14,21,25-26,34-37,53-54H,6-8,15-20,22-24H2,1H3,(H,55,60)(H,56,62)(H,57,66)(H,58,61)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t34-,35-,36-,37-,46-/s2
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n/an/an/an/a 0.25n/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux after 18 hrs by Fluo-4 AM dye based FLIPR assay


J Med Chem 60: 5228-5234 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00694
BindingDB Entry DOI: 10.7270/Q2S46V4J
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239762
PNG
(CHEMBL4078207)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC=C(C)C)c1=O
Show InChI InChI=1S/C27H39N3O4/c1-4-5-6-7-8-9-10-11-12-17-23(31)28-29-26(33)24-25(32)21-15-13-14-16-22(21)30(27(24)34)19-18-20(2)3/h13-16,18,32H,4-12,17,19H2,1-3H3,(H,28,31)(H,29,33)
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n/an/a 7.78E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239763
PNG
(CHEMBL4079175)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC(C)C)c1=O
Show InChI InChI=1S/C26H39N3O4/c1-4-5-6-7-8-9-10-11-12-17-22(30)27-28-25(32)23-24(31)20-15-13-14-16-21(20)29(26(23)33)18-19(2)3/h13-16,19,31H,4-12,17-18H2,1-3H3,(H,27,30)(H,28,32)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239764
PNG
(CHEMBL4087036)
Show SMILES CCn1c2ccccc2c(O)c(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C23H22N4O4/c1-2-27-18-10-6-4-8-16(18)21(29)20(23(27)31)22(30)26-25-19(28)12-11-14-13-24-17-9-5-3-7-15(14)17/h3-10,13,24,29H,2,11-12H2,1H3,(H,25,28)(H,26,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239765
PNG
(CHEMBL1428911)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
Show InChI InChI=1S/C20H27N3O4/c1-3-5-6-7-8-13-16(24)21-22-19(26)17-18(25)14-11-9-10-12-15(14)23(4-2)20(17)27/h9-12,25H,3-8,13H2,1-2H3,(H,21,24)(H,22,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239766
PNG
(CHEMBL4072819)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NNC(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H17N3O4/c1-22-14-10-6-5-9-13(14)17(24)16(19(22)26)18(25)21-20-15(23)11-12-7-3-2-4-8-12/h2-10,24H,11H2,1H3,(H,20,23)(H,21,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239767
PNG
(CHEMBL4101267)
Show SMILES CC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O
Show InChI InChI=1S/C13H13N3O4/c1-7(17)14-15-12(19)10-11(18)8-5-3-4-6-9(8)16(2)13(10)20/h3-6,18H,1-2H3,(H,14,17)(H,15,19)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239768
PNG
(CHEMBL4083267)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C18H15N3O4/c1-21-13-10-6-5-9-12(13)15(22)14(18(21)25)17(24)20-19-16(23)11-7-3-2-4-8-11/h2-10,22H,1H3,(H,19,23)(H,20,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50239770
PNG
(CHEMBL4082305)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H31N3O4/c1-2-3-4-5-6-7-8-9-10-15-18(26)24-25-22(29)19-20(27)16-13-11-12-14-17(16)23-21(19)28/h11-14H,2-10,15H2,1H3,(H,24,26)(H,25,29)(H2,23,27,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...


J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239751
PNG
(CHEMBL4076137 | US10214537, Example 481)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2nnc(C)s2)c2c(N)ncnn12
Show InChI InChI=1S/C23H24N8O2S/c1-13-27-28-21(34-13)17-11-18(31-19(17)20(24)25-12-26-31)15-6-5-7-16(10-15)29-8-9-30(14(2)32)23(3,4)22(29)33/h5-7,10-12H,8-9H2,1-4H3,(H2,24,25,26)
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n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair