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BDBM50245256 9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione::CHEMBL453347

SMILES: CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1

InChI Key: InChIKey=FNLZQIHHIXKRNH-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50245256   
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))
BDBM50245256
PNG
(9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-p...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O3/c1-30-12-14-31(15-13-30)10-5-11-32-22-9-8-19(33)16-21(22)24-23(32)17-20(18-6-3-2-4-7-18)25-26(24)28(35)29-27(25)34/h2-4,6-9,16-17,33H,5,10-15H2,1H3,(H,29,34,35)
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PC cid
PC sid
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Article
PubMed
n/an/a 200n/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))
BDBM50245256
PNG
(9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-p...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O3/c1-30-12-14-31(15-13-30)10-5-11-32-22-9-8-19(33)16-21(22)24-23(32)17-20(18-6-3-2-4-7-18)25-26(24)28(35)29-27(25)34/h2-4,6-9,16-17,33H,5,10-15H2,1H3,(H,29,34,35)
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PC cid
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Article
PubMed
n/an/a 300n/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))
BDBM50245256
PNG
(9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-p...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O3/c1-30-12-14-31(15-13-30)10-5-11-32-22-9-8-19(33)16-21(22)24-23(32)17-20(18-6-3-2-4-7-18)25-26(24)28(35)29-27(25)34/h2-4,6-9,16-17,33H,5,10-15H2,1H3,(H,29,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.70E+4n/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