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Compile Data Set for Download or QSAR

Found 10 hits of ki for UniProtKB: P15884   
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
Transcription factor 4


(Homo sapiens)
BDBM50509813
PNG
(CHEMBL4451478)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C38H33ClF3N9O7/c39-24-7-12-27-23(17-24)18-30(44-27)36(56)46-29(16-20-5-6-21-3-1-2-4-22(21)15-20)35(55)47-31(19-32-48-50-51-49-32)37(57)45-28(13-14-33(52)53)34(54)43-25-8-10-26(11-9-25)58-38(40,41)42/h1-12,15,17-18,28-29,31,44H,13-14,16,19H2,(H,43,54)(H,45,57)(H,46,56)(H,47,55)(H,52,53)(H,48,49,50,51)/t28-,29-,31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
640n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transcription factor 4


(Homo sapiens)
BDBM50594243
PNG
(CHEMBL5191974)
Show SMILES COC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1c[nH]c2ccc(Cl)cc12 |r|
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.36E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00123
BindingDB Entry DOI: 10.7270/Q2B56PRV
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM213761
PNG
(US9284299, 12 | US9738628, Compound 12)
Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
3.14E+3 -7.50n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


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US Patent
3.65E+3 -7.41n/an/an/an/an/a7.425



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM213761
PNG
(US9284299, 12 | US9738628, Compound 12)
Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12
Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
PDB

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PC sid
UniChem
US Patent
3.83E+3 -7.38n/an/an/an/an/a7.425



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
PDB

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US Patent
5.82E+3 -7.14n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM50094484
PNG
(CHEBI:3556 | CHEMBL2323033 | US9284299, CGP049090 ...)
Show SMILES COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5OCOc6cc(O)c(c2c6c5c34)c1=O |r|
Show InChI InChI=1S/C27H29NO3/c29-26(27(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24)31-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25,30H,16-21H2
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
5.87E+3 -7.13n/an/an/an/an/a7.425



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM213748
PNG
(US9284299, PKF115-584 | US9738628, Compound PKF115...)
Show SMILES COc1cc(O)c2c3c1c1c(OC)cc(O)c4c1c(c(C[C@@H](C)OC(=O)c1ccccc1)c(OC)c4=O)c3c(C[C@@H](C)OC(=O)Oc1ccc(O)cc1)c(OC)c2=O |r|
Show InChI InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45-47H,16-17H2,1-6H3/t20-,21-/m1/s1
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MCE
PC cid
PC sid
UniChem
US Patent
1.78E+4 -6.48n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Catenin beta-1 [138-686]/Transcription factor 4 [7-51]


(Homo sapiens (Human))
BDBM50094484
PNG
(CHEBI:3556 | CHEMBL2323033 | US9284299, CGP049090 ...)
Show SMILES COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5OCOc6cc(O)c(c2c6c5c34)c1=O |r|
Show InChI InChI=1S/C27H29NO3/c29-26(27(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24)31-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25,30H,16-21H2
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PC sid
UniChem

Similars

US Patent
3.56E+4 -6.07n/an/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...


US Patent US9284299 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GGC
More data for this
Ligand-Target Pair
Transcription factor 4


(Homo sapiens)
BDBM50094486
PNG
(CHEMBL3589160)
Show SMILES C(Cn1c2ccccc2c2nc3nonc3nc12)c1nn[nH]n1
Show InChI InChI=1S/C13H9N9O/c1-2-4-8-7(3-1)10-13(15-12-11(14-10)18-23-19-12)22(8)6-5-9-16-20-21-17-9/h1-4H,5-6H2,(H,16,17,20,21)
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7.60E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair