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BDBM50192384 9-hydroxy-4-(3-hydroxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione::CHEMBL214140

SMILES: Oc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12

InChI Key: InChIKey=ZCISLWXRDAEFQQ-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 = 50192384   
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))
BDBM50192384
PNG
(9-hydroxy-4-(3-hydroxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES Oc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12N2O4/c23-10-3-1-2-9(6-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)4-5-14(13)21-15/h1-8,21,23-24H,(H,22,25,26)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 260n/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 WEE1


(Homo sapiens (Human))
BDBM50192384
PNG
(9-hydroxy-4-(3-hydroxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES Oc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12N2O4/c23-10-3-1-2-9(6-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)4-5-14(13)21-15/h1-8,21,23-24H,(H,22,25,26)
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Article
PubMed
n/an/a 89n/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
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192384
PNG
(9-hydroxy-4-(3-hydroxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES Oc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12N2O4/c23-10-3-1-2-9(6-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)4-5-14(13)21-15/h1-8,21,23-24H,(H,22,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 89n/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
3D
3D Structure (docked)