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BDBM50245549 4-(2-Chlorophenyl)-6-(2,3-dihydroxypropyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H )-dione::CHEMBL520904

SMILES: OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl

InChI Key: InChIKey=UTNPHCAOJSTUCO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50245549   
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))
BDBM50245549
PNG
(4-(2-Chlorophenyl)-6-(2,3-dihydroxypropyl)-9-hydro...)
Show SMILES OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O5/c24-16-4-2-1-3-13(16)14-8-18-19(21-20(14)22(30)25-23(21)31)15-7-11(28)5-6-17(15)26(18)9-12(29)10-27/h1-8,12,27-29H,9-10H2,(H,25,30,31)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 77n/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))
BDBM50245549
PNG
(4-(2-Chlorophenyl)-6-(2,3-dihydroxypropyl)-9-hydro...)
Show SMILES OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O5/c24-16-4-2-1-3-13(16)14-8-18-19(21-20(14)22(30)25-23(21)31)15-7-11(28)5-6-17(15)26(18)9-12(29)10-27/h1-8,12,27-29H,9-10H2,(H,25,30,31)
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Article
PubMed
n/an/a 23n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245549
PNG
(4-(2-Chlorophenyl)-6-(2,3-dihydroxypropyl)-9-hydro...)
Show SMILES OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O5/c24-16-4-2-1-3-13(16)14-8-18-19(21-20(14)22(30)25-23(21)31)15-7-11(28)5-6-17(15)26(18)9-12(29)10-27/h1-8,12,27-29H,9-10H2,(H,25,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


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