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BDBM50245523 3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanamide::CHEMBL472542

SMILES: NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl

InChI Key: InChIKey=REOQLMWUAQOHPO-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50245523   
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))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a 54n/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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


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))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a 6n/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))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a 6n/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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


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