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PubMed code 27167503

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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
Peregrin


(Homo sapiens (Human))
BDBM50182416
PNG
(CHEMBL3818270)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)cc1NS(C)(=O)=O
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-13(21-23-11(3)19-20-16(15)23)12-7-6-10(2)8-14(12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
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n/an/a 650n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by biotinylated peptide a...


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50182416
PNG
(CHEMBL3818270)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)cc1NS(C)(=O)=O
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-13(21-23-11(3)19-20-16(15)23)12-7-6-10(2)8-14(12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
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n/an/an/a 270n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50121955
PNG
(4-Phenyl-pyridine | CHEMBL109074 | US11634391, Com...)
Show SMILES c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
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n/an/an/a>2.00E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182418
PNG
(CHEBI:81783 | TRICYCLAZOLE)
Show SMILES Cc1cccc2sc3nncn3c12
Show InChI InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
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n/an/an/a 2.10E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50068775
PNG
(2H-Isoquinolin-1-one | CHEMBL339695 | isoquinolin-...)
Show SMILES O=c1[nH]ccc2ccccc12
Show InChI InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
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n/an/an/a>2.00E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182407
PNG
(5-Hydroxyquinoline | CHEBI:48993 | CHEMBL589127)
Show SMILES Oc1cccc2ncccc12
Show InChI InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
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n/an/an/a>2.00E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182411
PNG
(CHEMBL3819561)
Show SMILES CN1C(=O)CNc2ccccc12
Show InChI InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
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n/an/an/a 3.80E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182414
PNG
(CHEMBL3817859)
Show SMILES CC(=O)c1c[nH]c2c(C)cccc12
Show InChI InChI=1S/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3
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n/an/an/a 2.90E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182408
PNG
(CHEMBL3818063)
Show SMILES Brc1ccc2NC(=O)CNc2c1
Show InChI InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
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n/an/an/a 1.05E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182406
PNG
(CHEMBL1416049)
Show SMILES Oc1[nH]c(S)nc2nc(S)nc12
Show InChI InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
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n/an/an/a 9.50E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50182410
PNG
(CHEMBL3818199)
Show SMILES FC(F)(F)c1ccc2NCC(=O)Nc2c1
Show InChI InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)
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n/an/an/a>2.00E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182412
PNG
(CHEMBL3818285)
Show SMILES C[C@@H]1Nc2ccccc2NC1=O |r|
Show InChI InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1
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n/an/an/a 9.10E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182413
PNG
(CHEMBL3819225)
Show SMILES CC[C@H]1Nc2ccc(cc2NC1=O)C(O)=O |r|
Show InChI InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
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n/an/an/a>2.00E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182417
PNG
(CHEMBL3818787)
Show SMILES O=c1[nH]c2[nH]c(=S)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
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n/an/an/a>5.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50182415
PNG
(CHEMBL3818519)
Show SMILES Cn1nccc1C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C11H9F2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)
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n/an/an/a>2.00E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50240538
PNG
(CHEMBL57481 | Isoquinolin-5-ol)
Show SMILES Oc1cccc2cnccc12
Show InChI InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
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n/an/an/a 1.70E+5n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM50172107
PNG
(CHEMBL3810303)
Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)|
Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)
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n/an/an/a 1.50E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay


J Med Chem 59: 5555-61 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00215
BindingDB Entry DOI: 10.7270/Q22Z17GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%