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5 similar compounds to monomer 16652

Compile data set for download or QSAR
Wt: 332.4
BDBM10893
Purchase
Wt: 308.3
BDBM11053
Wt: 352.4
BDBM51120
Purchase
Wt: 355.3
BDBM50101360
Wt: 550.6
BDBM153372

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 10893,11053,51120,50101360,153372   
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
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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PubMed
9.10n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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9.10n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow technique


J Med Chem 51: 3051-6 (2008)


Article DOI: 10.1021/jm701526d
BindingDB Entry DOI: 10.7270/Q2KH0N4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101360
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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16n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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16n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow technique


J Med Chem 51: 3051-6 (2008)


Article DOI: 10.1021/jm701526d
BindingDB Entry DOI: 10.7270/Q2KH0N4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101360
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50101360
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-phenyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H13N3O5S2/c14-22(18,19)11-5-1-9(2-6-11)13(17)16-10-3-7-12(8-4-10)23(15,20)21/h1-8H,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase (hpCA)


(Helicobacter pylori J99)
BDBM10893
PNG
(4-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
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79n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10893
PNG
(4-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
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133n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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276 -8.85n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM11053
PNG
(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
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276n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow technique


J Med Chem 51: 3051-6 (2008)


Article DOI: 10.1021/jm701526d
BindingDB Entry DOI: 10.7270/Q2KH0N4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10893
PNG
(4-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
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1.43E+4n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM51120
PNG
(4-phenyl-N-(4-sulfamoylphenyl)benzamide | MLS00070...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O3S/c20-25(23,24)18-12-10-17(11-13-18)21-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H2,20,23,24)
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n/an/a 8.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
cis-Farnesyl diphosphate synthase (cis-FPPS)


(Mycobacterium tuberculosis H37Rv)
BDBM153372
PNG
(BPH-1404)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H22N4O6S2/c27-37(33,34)23-13-9-21(10-14-23)29-25(31)19-5-1-17(2-6-19)18-3-7-20(8-4-18)26(32)30-22-11-15-24(16-12-22)38(28,35)36/h1-16H,(H,29,31)(H,30,32)(H2,27,33,34)(H2,28,35,36)
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n/an/a 2.41E+4n/an/an/an/an/an/a



University of California San Diego



Assay Description
The IC50 values for the most active hits were verified by radiometric assay as follows. A mixture of 15 ÁM cis-FPP, 100 nM DPPS, and inhibitors in th...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51120
PNG
(4-phenyl-N-(4-sulfamoylphenyl)benzamide | MLS00070...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O3S/c20-25(23,24)18-12-10-17(11-13-18)21-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H2,20,23,24)
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n/an/a 4.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM51120
PNG
(4-phenyl-N-(4-sulfamoylphenyl)benzamide | MLS00070...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O3S/c20-25(23,24)18-12-10-17(11-13-18)21-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H2,20,23,24)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM51120
PNG
(4-phenyl-N-(4-sulfamoylphenyl)benzamide | MLS00070...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O3S/c20-25(23,24)18-12-10-17(11-13-18)21-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H2,20,23,24)
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n/an/a 5.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens)
BDBM51120
PNG
(4-phenyl-N-(4-sulfamoylphenyl)benzamide | MLS00070...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O3S/c20-25(23,24)18-12-10-17(11-13-18)21-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H2,20,23,24)
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n/an/a 4.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM51120
PNG
(4-phenyl-N-(4-sulfamoylphenyl)benzamide | MLS00070...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O3S/c20-25(23,24)18-12-10-17(11-13-18)21-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H2,20,23,24)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM51120
PNG
(4-phenyl-N-(4-sulfamoylphenyl)benzamide | MLS00070...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O3S/c20-25(23,24)18-12-10-17(11-13-18)21-19(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H2,20,23,24)
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PCBioAssay
n/an/a 1.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
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Ligand-Target Pair