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BDBM50192412 9-hydroxy-4-(3-(hydroxymethyl)phenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione::9-hydroxy-4-[3-(hydroxymethyl)phenyl]pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione::CHEMBL385349

SMILES: OCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12

InChI Key: InChIKey=VTNOBHJWCUGWTA-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 = 50192412   
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))
BDBM50192412
PNG
(9-hydroxy-4-(3-(hydroxymethyl)phenyl)pyrrolo[3,4-c...)
Show SMILES OCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c24-9-10-2-1-3-11(6-10)13-8-16-17(19-18(13)20(26)23-21(19)27)14-7-12(25)4-5-15(14)22-16/h1-8,22,24-25H,9H2,(H,23,26,27)
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Article
PubMed
n/an/a 970n/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))
BDBM50192412
PNG
(9-hydroxy-4-(3-(hydroxymethyl)phenyl)pyrrolo[3,4-c...)
Show SMILES OCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c24-9-10-2-1-3-11(6-10)13-8-16-17(19-18(13)20(26)23-21(19)27)14-7-12(25)4-5-15(14)22-16/h1-8,22,24-25H,9H2,(H,23,26,27)
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Article
PubMed
n/an/a 870n/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))
BDBM50192412
PNG
(9-hydroxy-4-(3-(hydroxymethyl)phenyl)pyrrolo[3,4-c...)
Show SMILES OCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c24-9-10-2-1-3-11(6-10)13-8-16-17(19-18(13)20(26)23-21(19)27)14-7-12(25)4-5-15(14)22-16/h1-8,22,24-25H,9H2,(H,23,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/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