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Compile Data Set for Download or QSAR

Found 233 hits Enz. Inhib. hit(s) with Target = 'Runt-Related Transcription Factor 1 Isoform AML1C'   
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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29613
PNG
(2-Imino-1-(4-methyl-benzyl)-10-oxo-1,10-dihydro-2H...)
Show SMILES Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
Show InChI InChI=1S/C25H21N5O3/c1-16-7-9-17(10-8-16)15-30-22(26)19(24(31)27-14-18-5-4-12-33-18)13-20-23(30)28-21-6-2-3-11-29(21)25(20)32/h2-13,26H,14-15H2,1H3,(H,27,31)
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n/an/a 1.53E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29614
PNG
(6-methoxy-2-(1-pyrrolidinyl)-3-quinolinecarbonitri...)
Show SMILES COc1ccc2nc(N3CCCC3)c(cc2c1)C#N
Show InChI InChI=1S/C15H15N3O/c1-19-13-4-5-14-11(9-13)8-12(10-16)15(17-14)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
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n/an/a 1.00E+5n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29615
PNG
(6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES COc1cccc2C3C=CCC3C(Nc12)C(O)=O
Show InChI InChI=1S/C14H15NO3/c1-18-11-7-3-6-9-8-4-2-5-10(8)13(14(16)17)15-12(9)11/h2-4,6-8,10,13,15H,5H2,1H3,(H,16,17)
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n/an/a 1.54E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29616
PNG
(Dimethyl-[4-(2-methyl-5,6-dihydro-pyrazolo[1,5-c]q...)
Show SMILES CN(C)c1ccc(cc1)C1Nc2ccccc2-c2cc(C)nn12
Show InChI InChI=1S/C19H20N4/c1-13-12-18-16-6-4-5-7-17(16)20-19(23(18)21-13)14-8-10-15(11-9-14)22(2)3/h4-12,19-20H,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29617
PNG
(2-azanylidene-1-(furan-2-ylmethyl)-3-(phenylsulfon...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H16N4O4S/c23-20-18(31(28,29)16-8-2-1-3-9-16)13-17-21(26(20)14-15-7-6-12-30-15)24-19-10-4-5-11-25(19)22(17)27/h1-13,23H,14H2
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n/an/a 5.75E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29618
PNG
(3-(2-aminoethylamino)-7-(phenylmethyl)-1-[(phenylm...)
Show SMILES NCCNc1nc(NCc2ccccc2)c2CN(Cc3ccccc3)CCc2c1C#N
Show InChI InChI=1S/C25H28N6/c26-12-13-28-24-22(15-27)21-11-14-31(17-20-9-5-2-6-10-20)18-23(21)25(30-24)29-16-19-7-3-1-4-8-19/h1-10H,11-14,16-18,26H2,(H2,28,29,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29619
PNG
(6-ethyl-6-methyl-5,8-dihydro-1H-thiopyrano[2,3]thi...)
Show SMILES CCC1(C)Cc2c(CS1)sc1[nH]c(=O)[nH]c(=O)c21
Show InChI InChI=1S/C12H14N2O2S2/c1-3-12(2)4-6-7(5-17-12)18-10-8(6)9(15)13-11(16)14-10/h3-5H2,1-2H3,(H2,13,14,15,16)
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n/an/a 4.51E+4n/an/an/an/a7.423



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Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29620
PNG
(2-amino-1-(2-furanylmethyl)-N-[2-(4-morpholinyl)et...)
Show SMILES Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
Show InChI InChI=1S/C22H24N6O3/c23-20-18(22(29)24-7-8-27-9-12-30-13-10-27)19-21(28(20)14-15-4-3-11-31-15)26-17-6-2-1-5-16(17)25-19/h1-6,11H,7-10,12-14,23H2,(H,24,29)
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Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29621
PNG
(1-benzyl-2-(2-furoylamino)-N-(3-methoxypropyl)pyrr...)
Show SMILES COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H25N5O4/c1-35-15-8-14-28-27(34)22-23-25(30-20-12-6-5-11-19(20)29-23)32(17-18-9-3-2-4-10-18)24(22)31-26(33)21-13-7-16-36-21/h2-7,9-13,16H,8,14-15,17H2,1H3,(H,28,34)(H,31,33)
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Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29622
PNG
(MLS000078195 | SMR000041517 | cid_660761)
Show SMILES Cc1cc(C)cc(c1)-n1c2ncn(Cc3ccco3)c(=O)c2c2nc3ccccc3nc12
Show InChI InChI=1S/C25H19N5O2/c1-15-10-16(2)12-17(11-15)30-23-21(22-24(30)28-20-8-4-3-7-19(20)27-22)25(31)29(14-26-23)13-18-6-5-9-32-18/h3-12,14H,13H2,1-2H3
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n/an/a 3.40E+4n/an/an/an/a7.423



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Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29623
PNG
(1-(2-furanylmethyl)-2-imino-5-oxo-N-(phenylmethyl)...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19N5O3/c25-21-18(23(30)26-14-16-7-2-1-3-8-16)13-19-22(29(21)15-17-9-6-12-32-17)27-20-10-4-5-11-28(20)24(19)31/h1-13,25H,14-15H2,(H,26,30)
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Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29624
PNG
(1-(2-furanylmethyl)-3-(4-methylphenyl)sulfonyl-2-p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18N4O3S/c1-14-8-10-16(11-9-14)30(27,28)20-19-22(25-18-7-3-2-6-17(18)24-19)26(21(20)23)13-15-5-4-12-29-15/h2-12H,13,23H2,1H3
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Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29625
PNG
(MLS000081576 | SMR000043748 | cid_662970)
Show SMILES Cc1cc(C)n2nc3nc4CCCCc4cc3c2n1
Show InChI InChI=1S/C15H16N4/c1-9-7-10(2)19-15(16-9)12-8-11-5-3-4-6-13(11)17-14(12)18-19/h7-8H,3-6H2,1-2H3
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Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29626
PNG
(2-(2-furanyl)-3-(3-propan-2-yloxypropyl)imidazo[4,...)
Show SMILES CC(C)OCCCn1c(nc2nc3ccccc3nc12)-c1ccco1
Show InChI InChI=1S/C19H20N4O2/c1-13(2)24-12-6-10-23-18(16-9-5-11-25-16)22-17-19(23)21-15-8-4-3-7-14(15)20-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3
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Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29627
PNG
(2-azanylidene-N-[(4-fluorophenyl)methyl]-1-(furan-...)
Show SMILES Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3ccco3)c2=N)cc1
Show InChI InChI=1S/C24H18FN5O3/c25-16-8-6-15(7-9-16)13-27-23(31)18-12-19-22(28-20-5-1-2-10-29(20)24(19)32)30(21(18)26)14-17-4-3-11-33-17/h1-12,26H,13-14H2,(H,27,31)
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Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29628
PNG
(MLS000042566 | SMR000047335 | cid_666073)
Show SMILES CN1CCc2c(C1)sc1c2c(NCc2ccco2)nc2nnnn12
Show InChI InChI=1S/C15H15N7OS/c1-21-5-4-10-11(8-21)24-14-12(10)13(16-7-9-3-2-6-23-9)17-15-18-19-20-22(14)15/h2-3,6H,4-5,7-8H2,1H3,(H,16,17,18,20)
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Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29629
PNG
(1-(2-furanylmethyl)-3-(3-methylphenyl)sulfonyl-2-p...)
Show SMILES Cc1cccc(c1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18N4O3S/c1-14-6-4-8-16(12-14)30(27,28)20-19-22(25-18-10-3-2-9-17(18)24-19)26(21(20)23)13-15-7-5-11-29-15/h2-12H,13,23H2,1H3
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Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29630
PNG
(MLS000084335 | SMR000048147 | cid_666800)
Show SMILES CCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)nc1nc(C)[nH]n21
Show InChI InChI=1S/C23H25N5O2/c1-5-13-6-8-14(9-7-13)17-18-15(10-23(3,4)11-16(18)29)25-20-19(17)21(30)26-22-24-12(2)27-28(20)22/h6-9,17,25H,5,10-11H2,1-4H3,(H,24,26,27,30)
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Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29631
PNG
(MLS000082179 | SMR000061522 | [3-amino-4-(1,3-benz...)
Show SMILES CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C18H15N3OS3/c1-2-20-17-13(18-21-10-6-3-4-7-11(10)24-18)14(19)16(25-17)15(22)12-8-5-9-23-12/h3-9,20H,2,19H2,1H3
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Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29632
PNG
(2-[2-(3-keto-1,2-benzothiazol-2-yl)thiazol-4-yl]ac...)
Show SMILES CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H12N2O3S2/c1-2-19-12(17)7-9-8-20-14(15-9)16-13(18)10-5-3-4-6-11(10)21-16/h3-6,8H,2,7H2,1H3
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n/an/a 8.58E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29633
PNG
(4-[(4-methyl-2,3-dihydro-1,4-benzothiazine-6-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2SCCN(C)c2c1
Show InChI InChI=1S/C18H25N3O3S/c1-3-24-18(23)21-8-6-14(7-9-21)19-17(22)13-4-5-16-15(12-13)20(2)10-11-25-16/h4-5,12,14H,3,6-11H2,1-2H3,(H,19,22)
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n/an/a 1.00E+5n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29634
PNG
(1-(2-methyl-1H-perimidin-4-yl)ethanone | 1-(2-meth...)
Show SMILES CC(=O)c1ccc2cccc3nc(C)[nH]c1c23
Show InChI InChI=1S/C14H12N2O/c1-8(17)11-7-6-10-4-3-5-12-13(10)14(11)16-9(2)15-12/h3-7H,1-2H3,(H,15,16)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29635
PNG
(1-(2-furanylmethyl)-2-imino-3-(4-methylphenyl)sulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
Show InChI InChI=1S/C23H18N4O4S/c1-15-7-9-17(10-8-15)32(29,30)19-13-18-22(25-20-6-2-3-11-26(20)23(18)28)27(21(19)24)14-16-5-4-12-31-16/h2-13,24H,14H2,1H3
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n/an/a 5.86E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29636
PNG
(2-spiro[1H-indole-3,2'-3H-1,3-benzothiazole]one | ...)
Show SMILES O=C1Nc2ccccc2C11Nc2ccccc2S1
Show InChI InChI=1S/C14H10N2OS/c17-13-14(9-5-1-2-6-10(9)15-13)16-11-7-3-4-8-12(11)18-14/h1-8,16H,(H,15,17)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29637
PNG
(1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dih...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(N)=S)c1=N
Show InChI InChI=1S/C18H21N5O2S/c1-3-25-9-5-8-22-14(19)12(15(20)26)10-13-17(22)21-16-11(2)6-4-7-23(16)18(13)24/h4,6-7,10,19H,3,5,8-9H2,1-2H3,(H2,20,26)
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n/an/a 6.88E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29638
PNG
(1-[4-(2-furoyl)piperazino]-3-isopropyl-pyrido[1,2-...)
Show SMILES CC(C)c1cc(N2CCN(CC2)C(=O)c2ccco2)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C24H23N5O2/c1-16(2)17-14-22(27-9-11-28(12-10-27)24(30)21-8-5-13-31-21)29-20-7-4-3-6-19(20)26-23(29)18(17)15-25/h3-8,13-14,16H,9-12H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29639
PNG
((4E)-3-methyl-4-[[3-[(2-methyl-4-oxidanyl-phenyl)a...)
Show SMILES Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C
Show InChI InChI=1S/C22H20N4O2/c1-13-11-15(27)7-9-17(13)23-21-22(24-18-10-8-16(28)12-14(18)2)26-20-6-4-3-5-19(20)25-21/h3-12,27-28H,1-2H3,(H,23,25)(H,24,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29640
PNG
(MLS000109113 | SMR000105059 | cid_743355)
Show SMILES N#Cc1c2CCCc2c(NCc2ccco2)n2c3ccccc3nc12
Show InChI InChI=1S/C20H16N4O/c21-11-16-14-6-3-7-15(14)19(22-12-13-5-4-10-25-13)24-18-9-2-1-8-17(18)23-20(16)24/h1-2,4-5,8-10,22H,3,6-7,12H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29641
PNG
(1-(2-methoxyethyl)-4-(4-propoxyphenyl)-4H-pyridine...)
Show SMILES CCCOc1ccc(cc1)C1C(=CN(CCOC)C=C1C(=O)OC)C(=O)OC
Show InChI InChI=1S/C21H27NO6/c1-5-11-28-16-8-6-15(7-9-16)19-17(20(23)26-3)13-22(10-12-25-2)14-18(19)21(24)27-4/h6-9,13-14,19H,5,10-12H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29642
PNG
(4-[(5-thiophen-2-yl-2-thiophenyl)methylideneamino]...)
Show SMILES Oc1ccc(cc1)\N=C\c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C15H11NOS2/c17-12-5-3-11(4-6-12)16-10-13-7-8-15(19-13)14-2-1-9-18-14/h1-10,17H/b16-10+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29643
PNG
((6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29644
PNG
((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 9.81E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29645
PNG
(10-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acri...)
Show SMILES COc1ccc(cc1)N1C2=C(CC3=C1CCCC3=O)C(=O)CCC2
Show InChI InChI=1S/C20H21NO3/c1-24-14-10-8-13(9-11-14)21-17-4-2-6-19(22)15(17)12-16-18(21)5-3-7-20(16)23/h8-11H,2-7,12H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29646
PNG
(8-Methyl-2,3,4,5-tetrahydro-1H-6,11-dioxa-3a-aza-b...)
Show SMILES Cc1cc(=O)oc2c3CCCN4CCOc(cc12)c34
Show InChI InChI=1S/C15H15NO3/c1-9-7-13(17)19-15-10-3-2-4-16-5-6-18-12(14(10)16)8-11(9)15/h7-8H,2-6H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29647
PNG
(2-Hydroxyimino-6-methoxy-2H-chromene-3-carboxylic ...)
Show SMILES COc1ccc2oc(=NO)c(cc2c1)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C18H16N2O5/c1-23-12-7-8-15-11(9-12)10-13(18(20-22)25-15)17(21)19-14-5-3-4-6-16(14)24-2/h3-10,22H,1-2H3,(H,19,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29648
PNG
(2-(2,3-Dimethoxy-phenyl)-4-(5,5-dioxo-5H-5lambda*6...)
Show SMILES COc1cccc(-c2nc(c([nH]2)-c2ccc3c(c2)-c2ccccc2S3(=O)=O)-c2ccccc2)c1OC
Show InChI InChI=1S/C29H22N2O4S/c1-34-23-13-8-12-21(28(23)35-2)29-30-26(18-9-4-3-5-10-18)27(31-29)19-15-16-25-22(17-19)20-11-6-7-14-24(20)36(25,32)33/h3-17H,1-2H3,(H,30,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29649
PNG
(6-amino-5-cyano-2-[[(3-cyano-6-methyl-7,8-dihydro-...)
Show SMILES COC(=O)C1=C(CSc2nc3CCN(C)Cc3cc2C#N)OC(N)=C(C#N)C1c1ccccc1F
Show InChI InChI=1S/C25H22FN5O3S/c1-31-8-7-19-15(12-31)9-14(10-27)24(30-19)35-13-20-22(25(32)33-2)21(17(11-28)23(29)34-20)16-5-3-4-6-18(16)26/h3-6,9,17,21,29H,7-8,12-13H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29650
PNG
(1-Benzyl-2-[(5-bromo-furan-2-carbonyl)-amino]-1H-p...)
Show SMILES COCCNC(=O)c1c(NC(=O)c2ccc(Br)o2)n(Cc2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H22BrN5O4/c1-35-14-13-28-26(34)21-22-24(30-18-10-6-5-9-17(18)29-22)32(15-16-7-3-2-4-8-16)23(21)31-25(33)19-11-12-20(27)36-19/h2-12H,13-15H2,1H3,(H,28,34)(H,31,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29651
PNG
((3Z)-3-[(3-chloro-4-fluoro-anilino)-mercapto-methy...)
Show SMILES CN1c2ccsc2C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O
Show InChI InChI=1S/C14H10ClFN2O3S3/c1-18-10-4-5-23-12(10)11(19)13(24(18,20)21)14(22)17-7-2-3-9(16)8(15)6-7/h2-6,13H,1H3,(H,17,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29652
PNG
(5-chloranyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl...)
Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
Show InChI InChI=1S/C16H10ClN3O2S3/c17-13-7-8-14(23-13)25(21,22)20-11-5-3-10(4-6-11)15-19-12-2-1-9-18-16(12)24-15/h1-9,20H
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29653
PNG
(3-(4-chlorobenzyl)-1,4-diketo-naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H15ClO4/c1-2-25-20(24)17-16(11-12-7-9-13(21)10-8-12)18(22)14-5-3-4-6-15(14)19(17)23/h3-10H,2,11H2,1H3
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n/an/a 4.36E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29654
PNG
(2-methyl-N-(2-oxidanylidenebenzo[g][1,3]benzoxathi...)
Show SMILES CC(C)C(=O)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H15NO5S3/c1-11(2)18(21)20(28(23,24)16-8-5-9-26-16)14-10-15-17(25-19(22)27-15)13-7-4-3-6-12(13)14/h3-11H,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29655
PNG
(MLS000557332 | N-[3-Cyano-1-furan-2-ylmethyl-8-met...)
Show SMILES COc1ccc(cc1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
Show InChI InChI=1S/C26H19N5O4/c1-16-5-3-11-30-22(16)28-24-21(26(30)33)13-18(14-27)23(31(24)15-20-6-4-12-35-20)29-25(32)17-7-9-19(34-2)10-8-17/h3-13H,15H2,1-2H3/b29-23+
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n/an/a 7.37E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29656
PNG
(4-[(Pyridin-3-ylmethyl)-amino]-2,3-dihydro-1H-4a,9...)
Show SMILES N#Cc1c2CCCc2c(NCc2cccnc2)n2c1nc1ccccc21
Show InChI InChI=1S/C21H17N5/c22-11-17-15-6-3-7-16(15)20(24-13-14-5-4-10-23-12-14)26-19-9-2-1-8-18(19)25-21(17)26/h1-2,4-5,8-10,12,24H,3,6-7,13H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29657
PNG
(2-[(Z)-Benzoylimino]-1-furan-2-ylmethyl-8-methyl-1...)
Show SMILES CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1ccccc1
Show InChI InChI=1S/C27H22N4O5/c1-3-35-27(34)21-15-20-23(28-22-17(2)9-7-13-30(22)26(20)33)31(16-19-12-8-14-36-19)24(21)29-25(32)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3/b29-24+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29658
PNG
(MLS000557330 | N-[3-Cyano-1-furan-2-ylmethyl-8-met...)
Show SMILES Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
Show InChI InChI=1S/C26H19N5O3/c1-16-6-3-8-18(12-16)25(32)29-23-19(14-27)13-21-24(31(23)15-20-9-5-11-34-20)28-22-17(2)7-4-10-30(22)26(21)33/h3-13H,15H2,1-2H3/b29-23+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29659
PNG
(2-Amino-1-[2-(2-fluoro-phenyl)-ethyl]-1H-pyrrolo[2...)
Show SMILES Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1F
Show InChI InChI=1S/C24H20FN5O2/c25-17-8-2-1-6-15(17)11-12-30-22(26)20(24(31)27-14-16-7-5-13-32-16)21-23(30)29-19-10-4-3-9-18(19)28-21/h1-10,13H,11-12,14,26H2,(H,27,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29660
PNG
(2-Amino-4-furan-2-yl-7-methyl-5-oxo-6-phenethyl-5,...)
Show SMILES Cc1cc2OC(=N)C(C#N)C(c3ccco3)c2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H19N3O3/c1-14-12-18-20(22(26)25(14)10-9-15-6-3-2-4-7-15)19(17-8-5-11-27-17)16(13-23)21(24)28-18/h2-8,11-12,16,19,24H,9-10H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29661
PNG
(2-Amino-1-furan-2-ylmethyl-1H-pyrrolo[2,3-b]quinox...)
Show SMILES CC(C)CNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H21N5O2/c1-12(2)10-22-20(26)16-17-19(24-15-8-4-3-7-14(15)23-17)25(18(16)21)11-13-6-5-9-27-13/h3-9,12H,10-11,21H2,1-2H3,(H,22,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29662
PNG
(MLS000531003 | N-[7-(4-chlorophenyl)-5-methyl-1,7-...)
Show SMILES CC1=CC(N2NC(NS(=O)(=O)c3ccc(C)cc3)=NC2=N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN5O2S/c1-12-3-9-16(10-4-12)28(26,27)24-18-22-19-21-13(2)11-17(25(19)23-18)14-5-7-15(20)8-6-14/h3-10,17H,11H2,1-2H3,(H,23,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
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