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BDBM50192438 4-(2-chlorophenyl)-9-hydroxy-6-isopentylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione::CHEMBL384831

SMILES: CC(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl

InChI Key: InChIKey=DDMDDWMWTMOXPE-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 = 50192438   
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))
BDBM50192438
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-isopentylpyrrolo[3,...)
Show SMILES CC(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c1-13(2)9-10-28-19-8-7-14(29)11-17(19)21-20(28)12-16(15-5-3-4-6-18(15)26)22-23(21)25(31)27-24(22)30/h3-8,11-13,29H,9-10H2,1-2H3,(H,27,30,31)
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Article
PubMed
n/an/a 2.40E+4n/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))
BDBM50192438
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-isopentylpyrrolo[3,...)
Show SMILES CC(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c1-13(2)9-10-28-19-8-7-14(29)11-17(19)21-20(28)12-16(15-5-3-4-6-18(15)26)22-23(21)25(31)27-24(22)30/h3-8,11-13,29H,9-10H2,1-2H3,(H,27,30,31)
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Article
PubMed
n/an/a 150n/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))
BDBM50192438
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-isopentylpyrrolo[3,...)
Show SMILES CC(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c1-13(2)9-10-28-19-8-7-14(29)11-17(19)21-20(28)12-16(15-5-3-4-6-18(15)26)22-23(21)25(31)27-24(22)30/h3-8,11-13,29H,9-10H2,1-2H3,(H,27,30,31)
PDB
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 150n/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