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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Friend leukemia integration 1 transcription factor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Friend leukemia integration 1 transcription factor


(Homo sapiens (Human))
BDBM50497660
PNG
(CHEMBL3360409)
Show SMILES CN(C)c1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl
Show InChI InChI=1S/C18H16Cl2N2O3/c1-22(2)11-5-3-10(4-6-11)14(23)9-18(25)15-12(19)7-8-13(20)16(15)21-17(18)24/h3-8,25H,9H2,1-2H3,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of transcriptional activity of full-length EWS-FLI1 (unknown origin) expressed in COS7 cells by NR0B1-luciferase reporter gene assay


J Med Chem 57: 10290-303 (2014)


Article DOI: 10.1021/jm501372p
BindingDB Entry DOI: 10.7270/Q29G5QTK
More data for this
Ligand-Target Pair
Friend leukemia integration 1 transcription factor


(Homo sapiens (Human))
BDBM50497662
PNG
(CHEMBL3360408)
Show SMILES CNc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl
Show InChI InChI=1S/C17H14Cl2N2O3/c1-20-10-4-2-9(3-5-10)13(22)8-17(24)14-11(18)6-7-12(19)15(14)21-16(17)23/h2-7,20,24H,8H2,1H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of transcriptional activity of full-length EWS-FLI1 (unknown origin) expressed in COS7 cells by NR0B1-luciferase reporter gene assay


J Med Chem 57: 10290-303 (2014)


Article DOI: 10.1021/jm501372p
BindingDB Entry DOI: 10.7270/Q29G5QTK
More data for this
Ligand-Target Pair
Friend leukemia integration 1 transcription factor


(Homo sapiens (Human))
BDBM50497659
PNG
(CHEMBL3360406)
Show SMILES CSc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl
Show InChI InChI=1S/C17H13Cl2NO3S/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of transcriptional activity of full-length EWS-FLI1 (unknown origin) expressed in COS7 cells by NR0B1-luciferase reporter gene assay


J Med Chem 57: 10290-303 (2014)


Article DOI: 10.1021/jm501372p
BindingDB Entry DOI: 10.7270/Q29G5QTK
More data for this
Ligand-Target Pair
Friend leukemia integration 1 transcription factor


(Homo sapiens (Human))
BDBM50379275
PNG
(CHEMBL2011500)
Show SMILES COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl
Show InChI InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of transcriptional activity of full-length EWS-FLI1 (unknown origin) expressed in COS7 cells by NR0B1-luciferase reporter gene assay


J Med Chem 57: 10290-303 (2014)


Article DOI: 10.1021/jm501372p
BindingDB Entry DOI: 10.7270/Q29G5QTK
More data for this
Ligand-Target Pair
Friend leukemia integration 1 transcription factor/RNA-binding protein EWS


(Homo sapiens-Homo sapiens (Human))
BDBM50497658
PNG
(CHEMBL3360384)
Show SMILES COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(OC)ccc2OC
Show InChI InChI=1S/C19H19NO6/c1-24-12-6-4-11(5-7-12)13(21)10-19(23)16-14(25-2)8-9-15(26-3)17(16)20-18(19)22/h4-9,23H,10H2,1-3H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of transcriptional activity of full-length EWS-FLI1 (unknown origin) expressed in COS7 cells by NR0B1-luciferase reporter gene assay


J Med Chem 57: 10290-303 (2014)


Article DOI: 10.1021/jm501372p
BindingDB Entry DOI: 10.7270/Q29G5QTK
More data for this
Ligand-Target Pair
Friend leukemia integration 1 transcription factor


(Homo sapiens (Human))
BDBM50497661
PNG
(CHEMBL3360410)
Show SMILES CN(C(=O)CCCCCNC(=O)CCCC[C@H]1SCC2NC(=O)NC12)c1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl |r|
Show InChI InChI=1S/C33H39Cl2N5O6S/c1-40(20-12-10-19(11-13-20)24(41)17-33(46)28-21(34)14-15-22(35)29(28)38-31(33)44)27(43)9-3-2-6-16-36-26(42)8-5-4-7-25-30-23(18-47-25)37-32(45)39-30/h10-15,23,25,30,46H,2-9,16-18H2,1H3,(H,36,42)(H,38,44)(H2,37,39,45)/t23?,25-,30?,33?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.80E+3n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to purified recombinant EWS-FLI1 (unknown origin) after 1 hr by colorimetric phosphatase assay


J Med Chem 57: 10290-303 (2014)


Article DOI: 10.1021/jm501372p
BindingDB Entry DOI: 10.7270/Q29G5QTK
More data for this
Ligand-Target Pair