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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with Target = 'mothers against decapentaplegic homolog 3'   
Target
(Institution)
LigandTarget
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
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/a 38n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40314
PNG
(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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n/an/a 39n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 142n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40161
PNG
(8-bromo-2-(methoxymethyl)-3-methyl-4,5-dioxo-1-ben...)
Show SMILES CCOC(=O)c1c(COC)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
Show InChI InChI=1S/C18H16BrNO5/c1-4-25-18(23)14-12(8-24-3)20(2)15-13(14)11-7-9(19)5-6-10(11)16(21)17(15)22/h5-7H,4,8H2,1-3H3
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n/an/a 771n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM50206442
PNG
(2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
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n/an/a<1.25E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41958
PNG
(5-hydroxy-1H-indole-2-carboxylic acid | 5-oxidanyl...)
Show SMILES OC(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)
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n/an/a 1.77E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40313
PNG
(3-phenyl-9,10-phenanthrenedione | 3-phenylphenanth...)
Show SMILES O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H12O2/c21-19-16-9-5-4-8-15(16)18-12-14(10-11-17(18)20(19)22)13-6-2-1-3-7-13/h1-12H
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n/an/a 2.00E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40306
PNG
(5-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohe...)
Show SMILES CC1(C)CC(=O)C(C(=O)C1)C1(O)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C12H14N2O6/c1-11(2)3-5(15)7(6(16)4-11)12(20)8(17)13-10(19)14-9(12)18/h7,20H,3-4H2,1-2H3,(H2,13,14,17,18,19)
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n/an/a 2.30E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41969
PNG
(6-[(2-hydroxy-3-methoxy-phenyl)-pyrrolidino-methyl...)
Show SMILES COc1cccc(C(N2CCCC2)c2cc3OCOc3cc2O)c1O
Show InChI InChI=1S/C19H21NO5/c1-23-15-6-4-5-12(19(15)22)18(20-7-2-3-8-20)13-9-16-17(10-14(13)21)25-11-24-16/h4-6,9-10,18,21-22H,2-3,7-8,11H2,1H3
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n/an/a<2.50E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41964
PNG
(6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...)
Show SMILES COc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C19H21NO5/c1-22-16-5-3-2-4-13(16)19(20-6-8-23-9-7-20)14-10-17-18(11-15(14)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3
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n/an/a<2.50E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41978
PNG
(6-[(4-methoxyphenyl)-(1-piperidinyl)methyl]-1,3-be...)
Show SMILES COc1ccc(cc1)C(N1CCCCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C20H23NO4/c1-23-15-7-5-14(6-8-15)20(21-9-3-2-4-10-21)16-11-18-19(12-17(16)22)25-13-24-18/h5-8,11-12,20,22H,2-4,9-10,13H2,1H3
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n/an/a<2.50E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM39886
PNG
(4b,9b-bis(oxidanyl)-7,8-dihydro-6H-indeno[1,2-b][1...)
Show SMILES OC12OC3=C(C(=O)CCC3)C1(O)C(=O)c1ccccc21
Show InChI InChI=1S/C15H12O5/c16-10-6-3-7-11-12(10)14(18)13(17)8-4-1-2-5-9(8)15(14,19)20-11/h1-2,4-5,18-19H,3,6-7H2
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n/an/a 2.73E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40319
PNG
(4-[(3,4-diketo-1-naphthyl)amino]benzoic acid ethyl...)
Show SMILES CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C19H15NO4/c1-2-24-19(23)12-7-9-13(10-8-12)20-16-11-17(21)18(22)15-6-4-3-5-14(15)16/h3-11,20H,2H2,1H3
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n/an/a 2.82E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41962
PNG
(2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-keto-cyc...)
Show SMILES Oc1ccc(cc1O)C(=C1CC(=O)C(=O)C=C1)c1ccccc1S(O)(=O)=O
Show InChI InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-9,20,22H,10H2,(H,24,25,26)
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n/an/a 3.28E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41968
PNG
(6-[4-morpholinyl-(2,3,4-trimethoxyphenyl)methyl]-1...)
Show SMILES COc1ccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1OC
Show InChI InChI=1S/C21H25NO7/c1-24-16-5-4-13(20(25-2)21(16)26-3)19(22-6-8-27-9-7-22)14-10-17-18(11-15(14)23)29-12-28-17/h4-5,10-11,19,23H,6-9,12H2,1-3H3
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n/an/a 3.97E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40309
PNG
(MLS000046765 | N-(3-azepan-1-ylpropyl)-5-{[(2-fluo...)
Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1
Show InChI InChI=1S/C22H29FN2O4S/c23-20-9-4-3-8-18(20)16-30(27,28)17-19-10-11-21(29-19)22(26)24-12-7-15-25-13-5-1-2-6-14-25/h3-4,8-11H,1-2,5-7,12-17H2,(H,24,26)
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n/an/a 4.10E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM50143424
PNG
(2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...)
Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
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n/an/a 4.89E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41967
PNG
(6-[(2,3-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,...)
Show SMILES COc1cccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c1OC
Show InChI InChI=1S/C20H23NO6/c1-23-16-5-3-4-13(20(16)24-2)19(21-6-8-25-9-7-21)14-10-17-18(11-15(14)22)27-12-26-17/h3-5,10-11,19,22H,6-9,12H2,1-2H3
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n/an/a 6.43E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41988
PNG
(6-[(4-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...)
Show SMILES COc1ccc(cc1)C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C19H21NO5/c1-22-14-4-2-13(3-5-14)19(20-6-8-23-9-7-20)15-10-17-18(11-16(15)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3
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n/an/a 6.51E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41965
PNG
(6-[(2-hydroxyphenyl)-(4-morpholinyl)methyl]-1,3-be...)
Show SMILES Oc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C18H19NO5/c20-14-4-2-1-3-12(14)18(19-5-7-22-8-6-19)13-9-16-17(10-15(13)21)24-11-23-16/h1-4,9-10,18,20-21H,5-8,11H2
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n/an/a 6.96E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40310
PNG
(2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4...)
Show SMILES CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H24ClN3O2S/c1-3-23-8-4-5-14(23)11-21-18(24)12-26-17-10-19(25)22(2)16-9-13(20)6-7-15(16)17/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,24)
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n/an/a 8.70E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40312
PNG
(2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[[(4-oxi...)
Show SMILES CCCc1cc(=O)[nH]c(N=C(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)n1
Show InChI InChI=1S/C25H24N6O4/c1-3-9-17-14-20(32)28-24(27-17)30-25(26-16-10-5-4-6-11-16)29-21(33)15(2)31-22(34)18-12-7-8-13-19(18)23(31)35/h4-8,10-15H,3,9H2,1-2H3,(H3,26,27,28,29,30,32,33)
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n/an/a 8.78E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM31691
PNG
(3-Methoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo...)
Show SMILES COc1cccc(c1)C(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-5-7-17(13-22)24(29)26-19-14-20-10-6-11-21(15-19)27(20)16-23(28)25-18-8-3-2-4-9-18/h2-5,7-9,12-13,19-21H,6,10-11,14-16H2,1H3,(H,25,28)(H,26,29)
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n/an/a 9.46E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41982
PNG
(6-[4-morpholinyl-(3,4,5-trimethoxyphenyl)methyl]-1...)
Show SMILES COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C21H25NO7/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-4-6-27-7-5-22)14-10-16-17(11-15(14)23)29-12-28-16/h8-11,20,23H,4-7,12H2,1-3H3
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n/an/a 9.66E+3n/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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/a 9.89E+3n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41981
PNG
(6-[(3-methoxy-4-oxidanyl-phenyl)-morpholin-4-yl-me...)
Show SMILES COc1cc(ccc1O)C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C19H21NO6/c1-23-16-8-12(2-3-14(16)21)19(20-4-6-24-7-5-20)13-9-17-18(10-15(13)22)26-11-25-17/h2-3,8-10,19,21-22H,4-7,11H2,1H3
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n/an/a 1.01E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40308
PNG
(MLS000046465 | N-(3-azepan-1-ylpropyl)-5-oxo-1-(2-...)
Show SMILES O=C(NCCCN1CCCCCC1)C1CN(CCc2ccccc2)C(=O)C1
Show InChI InChI=1S/C22H33N3O2/c26-21-17-20(18-25(21)16-11-19-9-4-3-5-10-19)22(27)23-12-8-15-24-13-6-1-2-7-14-24/h3-5,9-10,20H,1-2,6-8,11-18H2,(H,23,27)
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n/an/a 1.02E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41977
PNG
(6-[(4-chlorophenyl)-(4-morpholinyl)methyl]-1,3-ben...)
Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClNO4/c19-13-3-1-12(2-4-13)18(20-5-7-22-8-6-20)14-9-16-17(10-15(14)21)24-11-23-16/h1-4,9-10,18,21H,5-8,11H2
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n/an/a 1.03E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40316
PNG
(8-bromo-2,3-dimethyl-4,5-dioxo-1-benzo[e]indolecar...)
Show SMILES CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
Show InChI InChI=1S/C17H14BrNO4/c1-4-23-17(22)12-8(2)19(3)14-13(12)11-7-9(18)5-6-10(11)15(20)16(14)21/h5-7H,4H2,1-3H3
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n/an/a 1.04E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40305
PNG
(2-[(6-amino-3,5-dicyano-4-p-phenetyl-2-pyridyl)thi...)
Show SMILES CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
Show InChI InChI=1S/C21H22N4O3S/c1-3-5-10-28-18(26)13-29-21-17(12-23)19(16(11-22)20(24)25-21)14-6-8-15(9-7-14)27-4-2/h6-9H,3-5,10,13H2,1-2H3,(H2,24,25)
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n/an/a 1.10E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40307
PNG
(MLS000046472 | N-(3-azepan-1-ylpropyl)-1-[2-(4-met...)
Show SMILES Cc1ccc(CCN2CC(CC2=O)C(=O)NCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-19-7-9-20(10-8-19)11-16-26-18-21(17-22(26)27)23(28)24-12-6-15-25-13-4-2-3-5-14-25/h7-10,21H,2-6,11-18H2,1H3,(H,24,28)
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n/an/a 1.11E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41986
PNG
(6-[(3,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,...)
Show SMILES COc1ccc(cc1OC)C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C20H23NO6/c1-23-16-4-3-13(9-17(16)24-2)20(21-5-7-25-8-6-21)14-10-18-19(11-15(14)22)27-12-26-18/h3-4,9-11,20,22H,5-8,12H2,1-2H3
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n/an/a 1.22E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41961
PNG
(4,5,6,7-tetrachloro-3',4',5',6'-tetrahydroxy-1-spi...)
Show SMILES Oc1ccc2c(Oc3c(O)c(O)ccc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1O
Show InChI InChI=1S/C20H8Cl4O7/c21-11-9-10(12(22)14(24)13(11)23)20(31-19(9)29)5-1-3-7(25)15(27)17(5)30-18-6(20)2-4-8(26)16(18)28/h1-4,25-28H
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n/an/a 1.24E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41985
PNG
(6-[1-piperidinyl-(3,4,5-trimethoxyphenyl)methyl]-1...)
Show SMILES COc1cc(cc(OC)c1OC)C(N1CCCCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C22H27NO6/c1-25-19-9-14(10-20(26-2)22(19)27-3)21(23-7-5-4-6-8-23)15-11-17-18(12-16(15)24)29-13-28-17/h9-12,21,24H,4-8,13H2,1-3H3
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n/an/a 1.25E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.41E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41975
PNG
(6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(...)
Show SMILES Oc1cc2OCOc2cc1C(N1CCN(CC1)C(c1ccc2OCOc2c1)c1cc2OCOc2cc1O)c1ccc2OCOc2c1
Show InChI InChI=1S/C34H30N2O10/c37-23-13-31-29(43-17-45-31)11-21(23)33(19-1-3-25-27(9-19)41-15-39-25)35-5-7-36(8-6-35)34(20-2-4-26-28(10-20)42-16-40-26)22-12-30-32(14-24(22)38)46-18-44-30/h1-4,9-14,33-34,37-38H,5-8,15-18H2
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n/an/a 1.41E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
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n/an/a 1.41E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41971
PNG
(6-[(4-methoxyphenyl)-(1-pyrrolidinyl)methyl]-1,3-b...)
Show SMILES COc1ccc(cc1)C(N1CCCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C19H21NO4/c1-22-14-6-4-13(5-7-14)19(20-8-2-3-9-20)15-10-17-18(11-16(15)21)24-12-23-17/h4-7,10-11,19,21H,2-3,8-9,12H2,1H3
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n/an/a 1.46E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40321
PNG
((6E)-6-(4-pyrrolidin-1-yl-1H-quinazolin-2-ylidene)...)
Show SMILES Oc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1
Show InChI InChI=1S/C18H17N3O/c22-16-10-4-2-8-14(16)17-19-15-9-3-1-7-13(15)18(20-17)21-11-5-6-12-21/h1-4,7-10,22H,5-6,11-12H2
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n/an/a 1.46E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40311
PNG
(5-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-2-fu...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1
Show InChI InChI=1S/C17H12N2O4S/c1-21-17(20)13-7-6-10(22-13)8-24-16-15-14(18-9-19-16)11-4-2-3-5-12(11)23-15/h2-7,9H,8H2,1H3
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n/an/a 1.47E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM35371
PNG
((7-chloro-5-pyrrolidino-benzofurazan-4-yl)amine | ...)
Show SMILES Nc1c(cc(Cl)c2nonc12)N1CCCC1
Show InChI InChI=1S/C10H11ClN4O/c11-6-5-7(15-3-1-2-4-15)8(12)10-9(6)13-16-14-10/h5H,1-4,12H2
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n/an/a 1.83E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40317
PNG
(2-[(3-methylbenzyl)sulfanyl]-6,7-dihydro-5H-cyclop...)
Show SMILES Cc1cccc(CSc2nc3CCCc3cc2C#N)c1
Show InChI InChI=1S/C17H16N2S/c1-12-4-2-5-13(8-12)11-20-17-15(10-18)9-14-6-3-7-16(14)19-17/h2,4-5,8-9H,3,6-7,11H2,1H3
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n/an/a 1.85E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM34182
PNG
(3-anilino-2H-isoquinolin-1-one | 3-anilinoisocarbo...)
Show SMILES O=c1[nH]c(Nc2ccccc2)cc2ccccc12
Show InChI InChI=1S/C15H12N2O/c18-15-13-9-5-4-6-11(13)10-14(17-15)16-12-7-2-1-3-8-12/h1-10H,(H2,16,17,18)
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n/an/a 1.96E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40322
PNG
(2-(1-benzotriazolyl)-3-(4-morpholinyl)naphthalene-...)
Show SMILES O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12
Show InChI InChI=1S/C20H16N4O3/c25-19-13-5-1-2-6-14(13)20(26)18(17(19)23-9-11-27-12-10-23)24-16-8-4-3-7-15(16)21-22-24/h1-8H,9-12H2
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n/an/a 2.20E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41963
PNG
(5-[(3-aminooxycarbonyl-4-hydroxy-phenyl)-(3-aminoo...)
Show SMILES NOC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(=O)ON)c1ccc(O)c(c1)C(=O)ON
Show InChI InChI=1S/C22H17N3O9/c23-32-20(29)13-7-10(1-4-16(13)26)19(11-2-5-17(27)14(8-11)21(30)33-24)12-3-6-18(28)15(9-12)22(31)34-25/h1-9,26-27H,23-25H2
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n/an/a 2.25E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41972
PNG
(6-[(4-fluorophenyl)-(1-pyrrolidinyl)methyl]-1,3-be...)
Show SMILES Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FNO3/c19-13-5-3-12(4-6-13)18(20-7-1-2-8-20)14-9-16-17(10-15(14)21)23-11-22-16/h3-6,9-10,18,21H,1-2,7-8,11H2
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n/an/a 2.33E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40304
PNG
(C-(1-Propyl-1,2,3,4-tetrahydro-quinolin-6-yl)-meth...)
Show SMILES CCCN1CCCc2cc(CN)ccc12
Show InChI InChI=1S/C13H20N2/c1-2-7-15-8-3-4-12-9-11(10-14)5-6-13(12)15/h5-6,9H,2-4,7-8,10,14H2,1H3
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n/an/a 2.46E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40320
PNG
((2E)-3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitro...)
Show SMILES Cc1ccc(cc1)-[n+]1c(O)csc1[C-](C(Cl)=C(Cl)Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H9Cl3N2O3S/c1-7-2-4-8(5-3-7)17-9(19)6-22-13(17)11(18(20)21)10(14)12(15)16/h2-6,19H,1H3
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n/an/a 2.77E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM40324
PNG
((4Z)-2-nitro-4-[(2-thiazolylhydrazo)methylidene]-1...)
Show SMILES [O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O
Show InChI InChI=1S/C10H7N4O3S/c15-9-2-1-7(5-8(9)14(16)17)6-12-13-10-11-3-4-18-10/h1-5H,6H2/q-1/p+1
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n/an/a 3.09E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41964
PNG
(6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...)
Show SMILES COc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C19H21NO5/c1-22-16-5-3-2-4-13(16)19(20-6-8-23-9-7-20)14-10-17-18(11-15(14)21)25-12-24-17/h2-5,10-11,19,21H,6-9,12H2,1H3
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n/an/a 3.53E+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: F.M. Hoffmann, University ...


Citation and Details
More data for this
Ligand-Target Pair
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