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6 similar compounds to monomer 50232226

Compile data set for download or QSAR
Wt: 376.7
BDBM50192411
Wt: 548.0
BDBM50279538
Wt: 516.0
BDBM50279710
Wt: 532.0
BDBM50279727
Wt: 396.5
BDBM50232224
Wt: 410.5
BDBM50232225

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50192411,50279538,50279710,50279727,50232224,50232225   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 57n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 57n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279538
PNG
(8-(3-(1H-pyrrol-1-yl)propylsulfonyl)-4-(2-chloroph...)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCn1cccc1
Show InChI InChI=1S/C28H22ClN3O5S/c1-31-20-15-23(38(36,37)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 160n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232225
PNG
(CHEMBL4067562)
Show SMILES CCN(CC)CCCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C25H34N2O3/c1-4-27(5-2)18-10-7-11-19-30-23-16-14-21(20-24(23)29-3)15-17-25(28)26-22-12-8-6-9-13-22/h6,8-9,12-17,20H,4-5,7,10-11,18-19H2,1-3H3,(H,26,28)/b17-15+
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n/an/a 22n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279710
PNG
(8-(3-(1H-pyrrol-1-yl)propylthio)-4-(2-chlorophenyl...)
Show SMILES Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H22ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 20n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 58n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232224
PNG
(CHEMBL4102718)
Show SMILES CCN(CC)CCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C24H32N2O3/c1-4-26(5-2)17-9-10-18-29-22-15-13-20(19-23(22)28-3)14-16-24(27)25-21-11-7-6-8-12-21/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3,(H,25,27)/b16-14+
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n/an/a 42n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232225
PNG
(CHEMBL4067562)
Show SMILES CCN(CC)CCCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C25H34N2O3/c1-4-27(5-2)18-10-7-11-19-30-23-16-14-21(20-24(23)29-3)15-17-25(28)26-22-12-8-6-9-13-22/h6,8-9,12-17,20H,4-5,7,10-11,18-19H2,1-3H3,(H,26,28)/b17-15+
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n/an/a 19n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232224
PNG
(CHEMBL4102718)
Show SMILES CCN(CC)CCCCOc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C24H32N2O3/c1-4-26(5-2)17-9-10-18-29-22-15-13-20(19-23(22)28-3)14-16-24(27)25-21-11-7-6-8-12-21/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3,(H,25,27)/b16-14+
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n/an/a 25n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279727
PNG
(8-(3-(1H-pyrrol-1-yl)propylsulfinyl)-4-(2-chloroph...)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCn1cccc1
Show InChI InChI=1S/C28H22ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 33n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair