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BDBM50094490 CHEMBL3589156

SMILES: OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12

InChI Key: InChIKey=IMVAHFIQCOJFIE-UHFFFAOYSA-N

Data: 4 KI  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 7 hits for monomerid = 50094490   
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
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 4...


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
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PC cid
PC sid
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Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein labeled human wild-type Tcf4 (residues 7-51) interaction after...


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
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PC cid
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Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin V511S mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
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Article
PubMed
5.90E+4n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human beta-catenin R469A mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein-labeled human E-cadherin (residues 819-873) interaction by FP ...


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
PDB
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NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein-labeled human APC-R3 (residues 1477-1519) interaction by FP co...


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair
Catenin beta-1


(Homo sapiens (Human))
BDBM50094490
PNG
(CHEMBL3589156)
Show SMILES OC(=O)CCCn1c2ccccc2c2nc3nonc3nc12
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein labeled human wild-type Tcf4 (residues 7-51) interaction after...


J Med Chem 58: 4678-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00223
BindingDB Entry DOI: 10.7270/Q2G44S28
More data for this
Ligand-Target Pair