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5 similar compounds to monomer 91911

Compile data set for download or QSAR
Wt: 487.5
BDBM91887
Wt: 443.4
BDBM91965
Wt: 502.5
BDBM91902
Wt: 473.4
BDBM91903
Wt: 486.5
BDBM50414227

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 91887,91965,91902,91903,50414227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50414227
PNG
(CHEMBL554904)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C28H30N4O4/c1-36-26-17-19(7-10-25(26)33)18-5-8-21-23(15-18)30-22-9-6-20(16-24(22)31-28(21)35)27(34)29-11-4-14-32-12-2-3-13-32/h5-10,15-17,30,33H,2-4,11-14H2,1H3,(H,29,34)(H,31,35)
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Article
PubMed
20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91902
PNG
(Chk1_36)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C28H30N4O5/c1-36-26-17-19(5-8-25(26)33)18-3-6-21-23(15-18)30-22-7-4-20(16-24(22)31-28(21)35)27(34)29-9-2-10-32-11-13-37-14-12-32/h3-8,15-17,30,33H,2,9-14H2,1H3,(H,29,34)(H,31,35)
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D3R
121n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91887
PNG
(Chk1_22)
Show SMILES COC(=O)C1CCCN1C(=O)c1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H25N3O6/c1-35-24-14-16(7-10-23(24)31)15-5-8-18-20(12-15)28-19-9-6-17(13-21(19)29-25(18)32)26(33)30-11-3-4-22(30)27(34)36-2/h5-10,12-14,22,28,31H,3-4,11H2,1-2H3,(H,29,32)
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D3R
128n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91903
PNG
(Chk1_37)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2C(O)=O)c1
Show InChI InChI=1S/C26H23N3O6/c1-35-23-13-15(6-9-22(23)30)14-4-7-17-19(11-14)27-18-8-5-16(12-20(18)28-24(17)31)25(32)29-10-2-3-21(29)26(33)34/h4-9,11-13,21,27,30H,2-3,10H2,1H3,(H,28,31)(H,33,34)
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D3R
139n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91965
PNG
(Chk1_96)
Show SMILES COc1cc(ccc1C(=O)N1CCCC1CO)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C26H25N3O4/c1-33-24-14-17(9-11-20(24)26(32)29-12-4-5-18(29)15-30)16-8-10-19-23(13-16)27-21-6-2-3-7-22(21)28-25(19)31/h2-3,6-11,13-14,18,27,30H,4-5,12,15H2,1H3,(H,28,31)
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D3R
3.59E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91903
PNG
(Chk1_37)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2C(O)=O)c1
Show InChI InChI=1S/C26H23N3O6/c1-35-23-13-15(6-9-22(23)30)14-4-7-17-19(11-14)27-18-8-5-16(12-20(18)28-24(17)31)25(32)29-10-2-3-21(29)26(33)34/h4-9,11-13,21,27,30H,2-3,10H2,1H3,(H,28,31)(H,33,34)
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n/an/a 139n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91887
PNG
(Chk1_22)
Show SMILES COC(=O)C1CCCN1C(=O)c1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H25N3O6/c1-35-24-14-16(7-10-23(24)31)15-5-8-18-20(12-15)28-19-9-6-17(13-21(19)29-25(18)32)26(33)30-11-3-4-22(30)27(34)36-2/h5-10,12-14,22,28,31H,3-4,11H2,1-2H3,(H,29,32)
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n/an/a 128n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91902
PNG
(Chk1_36)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C28H30N4O5/c1-36-26-17-19(5-8-25(26)33)18-3-6-21-23(15-18)30-22-7-4-20(16-24(22)31-28(21)35)27(34)29-9-2-10-32-11-13-37-14-12-32/h3-8,15-17,30,33H,2,9-14H2,1H3,(H,29,34)(H,31,35)
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n/an/a 121n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91965
PNG
(Chk1_96)
Show SMILES COc1cc(ccc1C(=O)N1CCCC1CO)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C26H25N3O4/c1-33-24-14-17(9-11-20(24)26(32)29-12-4-5-18(29)15-30)16-8-10-19-23(13-16)27-21-6-2-3-7-22(21)28-25(19)31/h2-3,6-11,13-14,18,27,30H,4-5,12,15H2,1H3,(H,28,31)
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n/an/a 3.59E+3n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair