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17 similar compounds to monomer 50200388

Compile data set for download or QSAR
Wt: 309.4
BDBM11005
Wt: 295.4
BDBM50249871
Purchase
Wt: 281.3
BDBM50249834
Purchase
Wt: 350.2
BDBM50312364
Wt: 315.8
BDBM50312369
Purchase
Wt: 329.8
BDBM50312373
Wt: 338.4
BDBM50200386
Wt: 376.4
BDBM50200390
Wt: 361.4
BDBM50200389

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 11005,50249871,50249834,50312364,50312369,50312373,50200386,50200390,50200389   
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
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11005
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)cc1
Show InChI InChI=1S/C18H19N3S/c1-12-3-7-14(8-4-12)16-11-17(21(20-16)18(19)22)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3,(H2,19,22)
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6 -11.7n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11005
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)cc1
Show InChI InChI=1S/C18H19N3S/c1-12-3-7-14(8-4-12)16-11-17(21(20-16)18(19)22)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3,(H2,19,22)
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10 -11.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
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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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))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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805n/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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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805n/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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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312373
PNG
(3-(4-chlorophenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-13(5-3-11)16-10-15(20-21(16)17(19)22)12-6-8-14(18)9-7-12/h2-9,16H,10H2,1H3,(H2,19,22)
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n/an/a 1.28E+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))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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n/an/a 3.33E+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))
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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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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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
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50312364
PNG
(3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13Cl2N3S/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)
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n/an/a 6.89E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


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))
BDBM50200390
PNG
(CHEMBL3892467 | US9763922, Example 70)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cn[nH]c1)nn2CC1CC1
Show InChI InChI=1S/C21H24N6O/c1-14(28)26-8-7-20-19(13-26)21(25-27(20)12-15-5-6-15)24-18-4-2-3-16(9-18)17-10-22-23-11-17/h2-4,9-11,15H,5-8,12-13H2,1H3,(H,22,23)(H,24,25)
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n/an/a 4.60E+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
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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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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200390
PNG
(CHEMBL3892467 | US9763922, Example 70)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cn[nH]c1)nn2CC1CC1
Show InChI InChI=1S/C21H24N6O/c1-14(28)26-8-7-20-19(13-26)21(25-27(20)12-15-5-6-15)24-18-4-2-3-16(9-18)17-10-22-23-11-17/h2-4,9-11,15H,5-8,12-13H2,1H3,(H,22,23)(H,24,25)
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n/an/a 330n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) expressed in HEK293 cells measured after overnight incubation by lucifer...


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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200386
PNG
(CHEMBL3909879)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC1CC1
Show InChI InChI=1S/C20H26N4O/c1-14-4-3-5-17(12-14)21-20-18-13-23(15(2)25)10-9-19(18)24(22-20)11-8-16-6-7-16/h3-5,12,16H,6-11,13H2,1-2H3,(H,21,22)
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n/an/a 180n/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))
BDBM50200386
PNG
(CHEMBL3909879)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC1CC1
Show InChI InChI=1S/C20H26N4O/c1-14-4-3-5-17(12-14)21-20-18-13-23(15(2)25)10-9-19(18)24(22-20)11-8-16-6-7-16/h3-5,12,16H,6-11,13H2,1-2H3,(H,21,22)
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n/an/a 9.80E+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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200390
PNG
(CHEMBL3892467 | US9763922, Example 70)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cn[nH]c1)nn2CC1CC1
Show InChI InChI=1S/C21H24N6O/c1-14(28)26-8-7-20-19(13-26)21(25-27(20)12-15-5-6-15)24-18-4-2-3-16(9-18)17-10-22-23-11-17/h2-4,9-11,15H,5-8,12-13H2,1H3,(H,22,23)(H,24,25)
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n/an/a 30n/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


(Homo sapiens (Human))
BDBM50200390
PNG
(CHEMBL3892467 | US9763922, Example 70)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cn[nH]c1)nn2CC1CC1
Show InChI InChI=1S/C21H24N6O/c1-14(28)26-8-7-20-19(13-26)21(25-27(20)12-15-5-6-15)24-18-4-2-3-16(9-18)17-10-22-23-11-17/h2-4,9-11,15H,5-8,12-13H2,1H3,(H,22,23)(H,24,25)
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US Patent
n/an/a 10n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200390
PNG
(CHEMBL3892467 | US9763922, Example 70)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cn[nH]c1)nn2CC1CC1
Show InChI InChI=1S/C21H24N6O/c1-14(28)26-8-7-20-19(13-26)21(25-27(20)12-15-5-6-15)24-18-4-2-3-16(9-18)17-10-22-23-11-17/h2-4,9-11,15H,5-8,12-13H2,1H3,(H,22,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.63E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312364
PNG
(3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13Cl2N3S/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.94E+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