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9 similar compounds to monomer 50200386

Compile data set for download or QSAR
Wt: 295.4
BDBM50249871
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Wt: 281.3
BDBM50249834
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Wt: 274.2
BDBM50200388
Wt: 361.4
BDBM50200389

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50249871,50249834,50200388,50200389   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50249871
PNG
(3-phenyl-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1
Show InChI InChI=1S/C17H17N3S/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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CHEMBL
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Article
PubMed
333n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50249871
PNG
(3-phenyl-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1
Show InChI InChI=1S/C17H17N3S/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50200389
PNG
(CHEMBL3936675 | US9763922, Example 195)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2Cc1ccccn1
Show InChI InChI=1S/C21H23N5O/c1-15-6-5-8-17(12-15)23-21-19-14-25(16(2)27)11-9-20(19)26(24-21)13-18-7-3-4-10-22-18/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,24)
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US Patent
n/an/a 280n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200388
PNG
(CHEMBL3908519)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3cccc(F)c3)c2C1
Show InChI InChI=1S/C14H15FN4O/c1-9(20)19-6-5-13-12(8-19)14(18-17-13)16-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8H2,1H3,(H2,16,17,18)
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n/an/a 430n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200389
PNG
(CHEMBL3936675 | US9763922, Example 195)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2Cc1ccccn1
Show InChI InChI=1S/C21H23N5O/c1-15-6-5-8-17(12-15)23-21-19-14-25(16(2)27)11-9-20(19)26(24-21)13-18-7-3-4-10-22-18/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200388
PNG
(CHEMBL3908519)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3cccc(F)c3)c2C1
Show InChI InChI=1S/C14H15FN4O/c1-9(20)19-6-5-13-12(8-19)14(18-17-13)16-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8H2,1H3,(H2,16,17,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50249871
PNG
(3-phenyl-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccccc1
Show InChI InChI=1S/C17H17N3S/c1-12-7-9-14(10-8-12)16-11-15(19-20(16)17(18)21)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,21)
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Article
PubMed
n/an/a 3.28E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50249834
PNG
(3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioam...)
Show SMILES NC(=S)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15N3S/c17-16(20)19-15(13-9-5-2-6-10-13)11-14(18-19)12-7-3-1-4-8-12/h1-10,15H,11H2,(H2,17,20)
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PubMed
n/an/a 4.83E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200389
PNG
(CHEMBL3936675 | US9763922, Example 195)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2Cc1ccccn1
Show InChI InChI=1S/C21H23N5O/c1-15-6-5-8-17(12-15)23-21-19-14-25(16(2)27)11-9-20(19)26(24-21)13-18-7-3-4-10-22-18/h3-8,10,12H,9,11,13-14H2,1-2H3,(H,23,24)
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PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair