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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 224.2
BDBM53102
Wt: 300.8
BDBM83394
Wt: 220.2
BDBM83852
Wt: 254.7
BDBM83853
Wt: 215.2
BDBM114633
Purchase
Wt: 305.3
BDBM114636
Purchase
Wt: 309.3
BDBM114646
Wt: 315.4
BDBM114652
Wt: 254.3
BDBM50264020
Purchase
Wt: 279.3
BDBM50284797
Wt: 256.3
BDBM158508
Wt: 269.3
BDBM158506
Purchase
Wt: 292.2
BDBM158507
Purchase
Wt: 274.7
BDBM158511
Wt: 306.3
BDBM158512
Purchase
Displayed 1 to 15 (of 54 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 48 hits in this display   
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
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM158508
PNG
(US9034574, XVII)
Show SMILES Oc1ccc(cc1)C1NN=C(S1)c1ccccc1
Show InChI InChI=1S/C14H12N2OS/c17-12-8-6-11(7-9-12)14-16-15-13(18-14)10-4-2-1-3-5-10/h1-9,14,16-17H
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n/an/a 11n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 25n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]apamin from Kca2.3 channel expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 1 (KCa2.1)


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 43n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.1 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 2


(Homo sapiens)
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 123n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.2 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM158511
PNG
(US9034574, XXI)
Show SMILES Clc1ccc(cc1)C1NN=C(S1)c1ccccc1
Show InChI InChI=1S/C14H11ClN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9,14,17H
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n/an/a 210n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 290n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 543n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 2


(Homo sapiens)
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 543n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]apamin from Kca2.2 channel expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens)
BDBM158512
PNG
(US9034574, XXII)
Show SMILES Oc1ccc2ccccc2c1C1NN=C(S1)c1ccccc1
Show InChI InChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H
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n/an/a 610n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM158512
PNG
(US9034574, XXII)
Show SMILES Oc1ccc2ccccc2c1C1NN=C(S1)c1ccccc1
Show InChI InChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H
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n/an/a 670n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM114652
PNG
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)
Show SMILES CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13N3OS2/c1-8(19)17-14-13(9-6-16-7-12(9)21-14)15-18-10-4-2-3-5-11(10)20-15/h2-5,16H,6-7H2,1H3,(H,17,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...


J Med Chem 55: 3101-12 (2012)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM158506
PNG
(US9034574, II)
Show SMILES Oc1cccc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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n/an/a 2.73E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM114652
PNG
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)
Show SMILES CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13N3OS2/c1-8(19)17-14-13(9-6-16-7-12(9)21-14)15-18-10-4-2-3-5-11(10)20-15/h2-5,16H,6-7H2,1H3,(H,17,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM114652
PNG
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)
Show SMILES CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13N3OS2/c1-8(19)17-14-13(9-6-16-7-12(9)21-14)15-18-10-4-2-3-5-11(10)20-15/h2-5,16H,6-7H2,1H3,(H,17,19)
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n/an/a 4.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM158507
PNG
(US9034574, Add | US9034574, III)
Show SMILES Cn1c2ccccc2n2cc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O2/c1-18-14-4-2-3-5-15(14)19-10-13(17-16(18)19)11-6-8-12(9-7-11)20(21)22/h2-10H,1H3
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n/an/a 6.14E+3n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM83853
PNG
(7-chloranyl-2,3-dihydroimidazo[1,2-f]phenanthridin...)
Show SMILES Clc1ccc2N3CCN=C3c3ccccc3-c2c1
Show InChI InChI=1S/C15H11ClN2/c16-10-5-6-14-13(9-10)11-3-1-2-4-12(11)15-17-7-8-18(14)15/h1-6,9H,7-8H2
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n/an/a 6.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM83394
PNG
(3-benzyl-4-chloro-7-methyl-1H-1,8-naphthyridine-2-...)
Show SMILES Cc1ccc2c(Cl)c(Cc3ccccc3)c(=S)[nH]c2n1
Show InChI InChI=1S/C16H13ClN2S/c1-10-7-8-12-14(17)13(16(20)19-15(12)18-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,20)
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n/an/a 8.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM83852
PNG
(2,3-dihydroimidazo[1,2-f]phenanthridine | Imidazo[...)
Show SMILES C1CN2C(=N1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C15H12N2/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17/h1-8H,9-10H2
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n/an/a 8.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM83852
PNG
(2,3-dihydroimidazo[1,2-f]phenanthridine | Imidazo[...)
Show SMILES C1CN2C(=N1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C15H12N2/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17/h1-8H,9-10H2
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n/an/a 9.24E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/a 9.88E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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n/an/a 1.02E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens)
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/a 1.15E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM114646
PNG
(MLS002702314 | N-[2-(dimethylamino)ethyl]-2-(4-pyr...)
Show SMILES CN(C)CCNC(=O)c1cccc2nc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C17H19N5O/c1-22(2)11-10-19-17(23)13-4-3-5-14-15(13)21-16(20-14)12-6-8-18-9-7-12/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,21)
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n/an/a 1.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens)
BDBM158508
PNG
(US9034574, XVII)
Show SMILES Oc1ccc(cc1)C1NN=C(S1)c1ccccc1
Show InChI InChI=1S/C14H12N2OS/c17-12-8-6-11(7-9-12)14-16-15-13(18-14)10-4-2-1-3-5-10/h1-9,14,16-17H
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n/an/a 1.69E+4n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens)
BDBM158511
PNG
(US9034574, XXI)
Show SMILES Clc1ccc(cc1)C1NN=C(S1)c1ccccc1
Show InChI InChI=1S/C14H11ClN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9,14,17H
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n/an/a 3.39E+4n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM114636
PNG
(1-[(4-methylphenyl)methyl]-4-oxidanyl-3-(phenylmet...)
Show SMILES Cc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C20H19NO2/c1-15-7-9-17(10-8-15)14-21-12-11-19(22)18(20(21)23)13-16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG binding domain protein 2


(Homo sapiens)
BDBM114633
PNG
(3-(1-naphthalenylmethylamino)-1-propanol | 3-(1-na...)
Show SMILES OCCCNCc1cccc2ccccc12
Show InChI InChI=1S/C14H17NO/c16-10-4-9-15-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,15-16H,4,9-11H2
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n/an/a 4.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens)
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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Article
n/an/a 1.07E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant CD45 protein tyrosine phosphatase


Bioorg Med Chem Lett 5: 1519-1522 (1995)


Article DOI: 10.1016/0960-894X(95)00250-W
BindingDB Entry DOI: 10.7270/Q2V69K2S
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/a 1.28E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens)
BDBM158507
PNG
(US9034574, Add | US9034574, III)
Show SMILES Cn1c2ccccc2n2cc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O2/c1-18-14-4-2-3-5-15(14)19-10-13(17-16(18)19)11-6-8-12(9-7-11)20(21)22/h2-10H,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens)
BDBM158506
PNG
(US9034574, II)
Show SMILES Oc1cccc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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n/an/an/an/a 2.15E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/an/an/a 2.05E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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n/an/an/an/a 1.68E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
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n/an/an/an/a 1.48E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83394
PNG
(3-benzyl-4-chloro-7-methyl-1H-1,8-naphthyridine-2-...)
Show SMILES Cc1ccc2c(Cl)c(Cc3ccccc3)c(=S)[nH]c2n1
Show InChI InChI=1S/C16H13ClN2S/c1-10-7-8-12-14(17)13(16(20)19-15(12)18-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,20)
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n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM83852
PNG
(2,3-dihydroimidazo[1,2-f]phenanthridine | Imidazo[...)
Show SMILES C1CN2C(=N1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C15H12N2/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17/h1-8H,9-10H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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n/an/an/an/a>5.98E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM83853
PNG
(7-chloranyl-2,3-dihydroimidazo[1,2-f]phenanthridin...)
Show SMILES Clc1ccc2N3CCN=C3c3ccccc3-c2c1
Show InChI InChI=1S/C15H11ClN2/c16-10-5-6-14-13(9-10)11-3-1-2-4-12(11)15-17-7-8-18(14)15/h1-6,9H,7-8H2
UniProtKB/SwissProt

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UniChem

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n/an/an/an/a>5.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM53102
PNG
(MLS001164912 | N,10-dimethyl-2-phenazin-10-iumamin...)
Show SMILES C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Show InChI InChI=1S/C14H13N3/c1-15-10-7-8-12-14(9-10)17(2)13-6-4-3-5-11(13)16-12/h3-9H,1-2H3/p+1/b15-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/an/an/a 2.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2, isoform CRA_a


(Homo sapiens)
BDBM83853
PNG
(7-chloranyl-2,3-dihydroimidazo[1,2-f]phenanthridin...)
Show SMILES Clc1ccc2N3CCN=C3c3ccccc3-c2c1
Show InChI InChI=1S/C15H11ClN2/c16-10-5-6-14-13(9-10)11-3-1-2-4-12(11)15-17-7-8-18(14)15/h1-6,9H,7-8H2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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n/an/an/an/a 4.65E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2, isoform CRA_a


(Homo sapiens)
BDBM83852
PNG
(2,3-dihydroimidazo[1,2-f]phenanthridine | Imidazo[...)
Show SMILES C1CN2C(=N1)c1ccccc1-c1ccccc21
Show InChI InChI=1S/C15H12N2/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17/h1-8H,9-10H2
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
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UniChem

Similars

n/an/an/an/a 3.38E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair