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BDBM50192443 9-hydroxy-4-(2-nitrophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione::9-hydroxy-4-(2-nitrophenyl)pyrrolo[3,4-c]carbazole-1,3-(2H,6H)-dione::CHEMBL209786

SMILES: Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=ZICPUCCVCNBZJC-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 = 50192443   
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))
BDBM50192443
PNG
(9-hydroxy-4-(2-nitrophenyl)pyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H11N3O5/c24-9-5-6-13-12(7-9)16-14(21-13)8-11(17-18(16)20(26)22-19(17)25)10-3-1-2-4-15(10)23(27)28/h1-8,21,24H,(H,22,25,26)
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PC cid
PC sid
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Article
PubMed
n/an/a 4.00E+3n/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))
BDBM50192443
PNG
(9-hydroxy-4-(2-nitrophenyl)pyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H11N3O5/c24-9-5-6-13-12(7-9)16-14(21-13)8-11(17-18(16)20(26)22-19(17)25)10-3-1-2-4-15(10)23(27)28/h1-8,21,24H,(H,22,25,26)
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Article
PubMed
n/an/a 47n/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))
BDBM50192443
PNG
(9-hydroxy-4-(2-nitrophenyl)pyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H11N3O5/c24-9-5-6-13-12(7-9)16-14(21-13)8-11(17-18(16)20(26)22-19(17)25)10-3-1-2-4-15(10)23(27)28/h1-8,21,24H,(H,22,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/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