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USPatent US10292985

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387321
PNG
(2-methyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Cc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H14N6/c1-13-4-2-5-15(21-13)18-22-19(17-6-3-10-25(17)23-18)24-11-8-14-12-20-9-7-16(14)24/h2-12H,1H3
PDB
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UniProtKB/SwissProt

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antibodypedia
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UniChem
US Patent
n/an/a 0.960n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387324
PNG
(2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES c1cc2c(nc(nn2c1)-c1ccccn1)-n1ccc2cnccc12
Show InChI InChI=1S/C18H12N6/c1-2-8-20-14(4-1)17-21-18(16-5-3-10-24(16)22-17)23-11-7-13-12-19-9-6-15(13)23/h1-12H
PDB
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US Patent
n/an/a 1.10n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387329
PNG
(7-methoxy-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f...)
Show SMILES COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(C)n3)ccnc2c1
Show InChI InChI=1S/C22H18N6O/c1-14-5-3-6-18(24-14)21-26-22(20-7-4-12-28(20)27-21)25-17-10-11-23-19-13-15(29-2)8-9-16(17)19/h3-13H,1-2H3,(H,23,25,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387344
PNG
(2-ethyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrol...)
Show SMILES CCc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C20H16N6/c1-2-15-5-3-6-16(22-15)19-23-20(18-7-4-11-26(18)24-19)25-12-9-14-13-21-10-8-17(14)25/h3-13H,2H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387340
PNG
(3-fluoro-2-methyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1...)
Show SMILES Cc1nc(ccc1F)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H13FN6/c1-12-14(20)4-5-15(22-12)18-23-19(17-3-2-9-26(17)24-18)25-10-7-13-11-21-8-6-16(13)25/h2-11H,1H3
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n/an/a 1.30n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387345
PNG
(2-cyclopropyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}...)
Show SMILES C1CC1c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C21H16N6/c1-3-16(14-6-7-14)23-17(4-1)20-24-21(19-5-2-11-27(19)25-20)26-12-9-15-13-22-10-8-18(15)26/h1-5,8-14H,6-7H2
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n/an/a 1.30n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387322
PNG
(2-fluoro-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Fc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H11FN6/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24/h1-11H
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n/an/a 1.40n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387333
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3cc(ccc23)C(F)(F)F)c2cccn2n1
Show InChI InChI=1S/C22H15F3N6/c1-13-4-2-5-17(27-13)20-29-21(19-6-3-11-31(19)30-20)28-16-9-10-26-18-12-14(22(23,24)25)7-8-15(16)18/h2-12H,1H3,(H,26,28,29,30)
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n/an/a 1.40n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387354
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cccn2n1
Show InChI InChI=1S/C19H15N7/c1-12-4-2-5-16(21-12)18-23-19(17-6-3-9-26(17)25-18)22-14-7-8-15-13(10-14)11-20-24-15/h2-11H,1H3,(H,20,24)(H,22,23,25)
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n/an/a 1.5n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387338
PNG
(N-{2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f...)
Show SMILES COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)F)ccnc2c1
Show InChI InChI=1S/C22H16F2N6O/c1-31-13-7-8-14-15(9-10-25-18(14)12-13)27-22-19-6-3-11-30(19)29-21(28-22)17-5-2-4-16(26-17)20(23)24/h2-12,20H,1H3,(H,25,27,28,29)
PDB
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n/an/a 1.80n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387353
PNG
(2-(methylsulfanyl)-4-(4-{1H-pyrrolo[3,2-c]pyridin-...)
Show SMILES CSc1nccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H13N7S/c1-26-18-20-8-4-13(21-18)16-22-17(15-3-2-9-25(15)23-16)24-10-6-12-11-19-7-5-14(12)24/h2-11H,1H3
PDB
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n/an/a 2.20n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387347
PNG
(2-(difluoromethyl)-6-(4-{1H-pyrrolo[3,2-c]pyridin-...)
Show SMILES FC(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H12F2N6/c20-17(21)13-3-1-4-14(23-13)18-24-19(16-5-2-9-27(16)25-18)26-10-7-12-11-22-8-6-15(12)26/h1-11,17H
PDB
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n/an/a 2.90n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387346
PNG
(2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H11F3N6/c20-19(21,22)16-5-1-3-13(24-16)17-25-18(15-4-2-9-28(15)26-17)27-10-7-12-11-23-8-6-14(12)27/h1-11H
PDB
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n/an/a 3.80n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387337
PNG
(7-methoxy-N-{2-[6-(trifluoromethyl)pyridin-2-yl]py...)
Show SMILES COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccnc2c1
Show InChI InChI=1S/C22H15F3N6O/c1-32-13-7-8-14-15(9-10-26-17(14)12-13)28-21-18-5-3-11-31(18)30-20(29-21)16-4-2-6-19(27-16)22(23,24)25/h2-12H,1H3,(H,26,28,29,30)
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n/an/a 4.20n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387334
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccncc23)c2cccn2n1
Show InChI InChI=1S/C20H15N7/c1-13-4-2-5-17(23-13)19-25-20(18-6-3-11-27(18)26-19)24-16-8-10-22-15-7-9-21-12-14(15)16/h2-12H,1H3,(H,22,24,25,26)
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n/an/a 4.40n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387331
PNG
(6-chloro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(Cl)cc23)c2cccn2n1
Show InChI InChI=1S/C21H15ClN6/c1-13-4-2-5-18(24-13)20-26-21(19-6-3-11-28(19)27-20)25-17-9-10-23-16-8-7-14(22)12-15(16)17/h2-12H,1H3,(H,23,25,26,27)
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n/an/a 4.70n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387349
PNG
(2-chloro-6-(4-{1H-pyrrolo[3,2-c]pyridin-1}-yl pyrr...)
Show SMILES Clc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H11ClN6/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24/h1-11H
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University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387335
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
Show InChI InChI=1S/C20H15N7/c1-13-5-2-6-16(23-13)19-25-20(17-8-4-12-27(17)26-19)24-15-9-11-21-14-7-3-10-22-18(14)15/h2-12H,1H3,(H,21,24,25,26)
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n/an/a 5.10n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387325
PNG
(2-(4-{1H-imidazo[4,5-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES c1cc2c(nc(nn2c1)-c1ccccn1)-n1cnc2cnccc12
Show InChI InChI=1S/C17H11N7/c1-2-7-19-12(4-1)16-21-17(15-5-3-9-24(15)22-16)23-11-20-13-10-18-8-6-14(13)23/h1-11H
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n/an/a 5.10n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387339
PNG
(N-{2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f...)
Show SMILES FC(F)c1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
Show InChI InChI=1S/C20H13F2N7/c21-18(22)14-4-1-5-15(25-14)19-27-20(16-7-3-11-29(16)28-19)26-13-8-10-23-12-6-2-9-24-17(12)13/h1-11,18H,(H,23,26,27,28)
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n/an/a 5.80n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387350
PNG
(2-methoxy-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrr...)
Show SMILES COc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H14N6O/c1-26-17-6-2-4-14(21-17)18-22-19(16-5-3-10-25(16)23-18)24-11-8-13-12-20-9-7-15(13)24/h2-12H,1H3
PDB
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UniChem
US Patent
n/an/a 6.20n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387327
PNG
(6-methoxy-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f...)
Show SMILES COc1ccc2nccc(Nc3nc(nn4cccc34)-c3cccc(C)n3)c2c1
Show InChI InChI=1S/C22H18N6O/c1-14-5-3-6-19(24-14)21-26-22(20-7-4-12-28(20)27-21)25-18-10-11-23-17-9-8-15(29-2)13-16(17)18/h3-13H,1-2H3,(H,23,25,26,27)
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n/an/a 6.40n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387330
PNG
(6-fluoro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(F)cc23)c2cccn2n1
Show InChI InChI=1S/C21H15FN6/c1-13-4-2-5-18(24-13)20-26-21(19-6-3-11-28(19)27-20)25-17-9-10-23-16-8-7-14(22)12-15(16)17/h2-12H,1H3,(H,23,25,26,27)
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n/an/a 6.60n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387342
PNG
(2-(5-chloro-4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES COc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2c(Cl)ccn2n1
Show InChI InChI=1S/C19H13ClN6O/c1-27-16-4-2-3-14(22-16)18-23-19(17-13(20)7-10-26(17)24-18)25-9-6-12-11-21-8-5-15(12)25/h2-11H,1H3
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n/an/a 10n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387352
PNG
(5-methyl-2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Cc1ccc(nc1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H14N6/c1-13-4-5-15(21-11-13)18-22-19(17-3-2-9-25(17)23-18)24-10-7-14-12-20-8-6-16(14)24/h2-12H,1H3
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n/an/a 12n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387320
PNG
(3-fluoro-6-methyl-2-(4-{1H-pyrrolo[3,2-c]pyridin-1...)
Show SMILES Cc1ccc(F)c(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H13FN6/c1-12-4-5-14(20)17(22-12)18-23-19(16-3-2-9-26(16)24-18)25-10-7-13-11-21-8-6-15(13)25/h2-11H,1H3
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n/an/a 18n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387318
PNG
(N-{2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
Show InChI InChI=1S/C20H12F3N7/c21-20(22,23)16-7-1-4-14(26-16)18-28-19(15-6-3-11-30(15)29-18)27-13-8-10-24-12-5-2-9-25-17(12)13/h1-11H,(H,24,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387351
PNG
(5-fluoro-2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Fc1ccc(nc1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H11FN6/c19-13-3-4-14(21-11-13)17-22-18(16-2-1-8-25(16)23-17)24-9-6-12-10-20-7-5-15(12)24/h1-11H
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n/an/a 24n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387317
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccccc23)c2cccn2n1
Show InChI InChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26)
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n/an/a 29n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387343
PNG
(N-[6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrolo[2,1...)
Show SMILES CS(=O)(=O)Nc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H15N7O2S/c1-29(27,28)24-17-6-2-4-14(21-17)18-22-19(16-5-3-10-26(16)23-18)25-11-8-13-12-20-9-7-15(13)25/h2-12H,1H3,(H,21,24)
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n/an/a 33n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387351
PNG
(5-fluoro-2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Fc1ccc(nc1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H11FN6/c19-13-3-4-14(21-11-13)17-22-18(16-2-1-8-25(16)23-17)24-9-6-12-10-20-7-5-15(12)24/h1-11H
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n/an/a 39n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387324
PNG
(2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES c1cc2c(nc(nn2c1)-c1ccccn1)-n1ccc2cnccc12
Show InChI InChI=1S/C18H12N6/c1-2-8-20-14(4-1)17-21-18(16-5-3-10-24(16)22-17)23-11-7-13-12-19-9-6-15(13)23/h1-12H
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n/an/a 40n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387348
PNG
(2-methoxy-6-(4-{1H-pyrazolo[4,3-c]pyridin-1-yl}pyr...)
Show SMILES COc1cccc(n1)-c1nc(-n2ncc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H13N7O/c1-26-16-6-2-4-13(21-16)17-22-18(15-5-3-9-24(15)23-17)25-14-7-8-19-10-12(14)11-20-25/h2-11H,1H3
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n/an/a 67n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387322
PNG
(2-fluoro-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Fc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H11FN6/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24/h1-11H
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n/an/a 120n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387323
PNG
(1-methyl-N-[2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]t...)
Show SMILES Cn1cnc2ccc(Nc3nc(nn4cccc34)-c3ccccn3)cc12
Show InChI InChI=1S/C19H15N7/c1-25-12-21-14-8-7-13(11-17(14)25)22-19-16-6-4-10-26(16)24-18(23-19)15-5-2-3-9-20-15/h2-12H,1H3,(H,22,23,24)
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n/an/a 240n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387321
PNG
(2-methyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Cc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H14N6/c1-13-4-2-5-15(21-13)18-22-19(17-6-3-10-25(17)23-18)24-11-8-14-12-20-9-7-16(14)24/h2-12H,1H3
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n/an/a 250n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387328
PNG
(6-bromo-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(Br)cc23)c2cccn2n1
Show InChI InChI=1S/C21H15BrN6/c1-13-4-2-5-18(24-13)20-26-21(19-6-3-11-28(19)27-20)25-17-9-10-23-16-8-7-14(22)12-15(16)17/h2-12H,1H3,(H,23,25,26,27)
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n/an/a 280n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387326
PNG
(2-(4-{1H-pyrrolo[2,3-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES c1cc2c(nc(nn2c1)-c1ccccn1)-n1ccc2ccncc12
Show InChI InChI=1S/C18H12N6/c1-2-8-20-14(4-1)17-21-18(15-5-3-10-24(15)22-17)23-11-7-13-6-9-19-12-16(13)23/h1-12H
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n/an/a 310n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387349
PNG
(2-chloro-6-(4-{1H-pyrrolo[3,2-c]pyridin-1}-yl pyrr...)
Show SMILES Clc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H11ClN6/c19-16-5-1-3-13(21-16)17-22-18(15-4-2-9-25(15)23-17)24-10-7-12-11-20-8-6-14(12)24/h1-11H
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University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387340
PNG
(3-fluoro-2-methyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1...)
Show SMILES Cc1nc(ccc1F)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H13FN6/c1-12-14(20)4-5-15(22-12)18-23-19(17-3-2-9-26(17)24-18)25-10-7-13-11-21-8-6-16(13)25/h2-11H,1H3
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n/an/a 690n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387352
PNG
(5-methyl-2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES Cc1ccc(nc1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H14N6/c1-13-4-5-15(21-11-13)18-22-19(17-3-2-9-25(17)23-18)24-10-7-14-12-20-8-6-16(14)24/h2-12H,1H3
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n/an/a 820n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387333
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3cc(ccc23)C(F)(F)F)c2cccn2n1
Show InChI InChI=1S/C22H15F3N6/c1-13-4-2-5-17(27-13)20-29-21(19-6-3-11-31(19)30-20)28-16-9-10-26-18-12-14(22(23,24)25)7-8-15(16)18/h2-12H,1H3,(H,26,28,29,30)
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n/an/a 930n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387332
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(cc23)C(F)(F)F)c2cccn2n1
Show InChI InChI=1S/C22H15F3N6/c1-13-4-2-5-18(27-13)20-29-21(19-6-3-11-31(19)30-20)28-17-9-10-26-16-8-7-14(12-15(16)17)22(23,24)25/h2-12H,1H3,(H,26,28,29,30)
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n/an/a 940n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387329
PNG
(7-methoxy-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f...)
Show SMILES COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(C)n3)ccnc2c1
Show InChI InChI=1S/C22H18N6O/c1-14-5-3-6-18(24-14)21-26-22(20-7-4-12-28(20)27-21)25-17-10-11-23-19-13-15(29-2)8-9-16(17)19/h3-13H,1-2H3,(H,23,25,26,27)
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n/an/a 950n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387325
PNG
(2-(4-{1H-imidazo[4,5-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES c1cc2c(nc(nn2c1)-c1ccccn1)-n1cnc2cnccc12
Show InChI InChI=1S/C17H11N7/c1-2-7-19-12(4-1)16-21-17(15-5-3-9-24(15)22-16)23-11-20-13-10-18-8-6-14(13)23/h1-11H
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387344
PNG
(2-ethyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrol...)
Show SMILES CCc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C20H16N6/c1-2-15-5-3-6-16(22-15)19-23-20(18-7-4-11-26(18)24-19)25-12-9-14-13-21-10-8-17(14)25/h3-13H,2H2,1H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387347
PNG
(2-(difluoromethyl)-6-(4-{1H-pyrrolo[3,2-c]pyridin-...)
Show SMILES FC(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H12F2N6/c20-17(21)13-3-1-4-14(23-13)18-24-19(16-5-2-9-27(16)25-18)26-10-7-12-11-22-8-6-15(12)26/h1-11,17H
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387317
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccccc23)c2cccn2n1
Show InChI InChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387335
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
Show InChI InChI=1S/C20H15N7/c1-13-5-2-6-16(23-13)19-25-20(17-8-4-12-27(17)26-19)24-15-9-11-21-14-7-3-10-22-18(14)15/h2-12H,1H3,(H,21,24,25,26)
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n/an/a 2.32E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387328
PNG
(6-bromo-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(Br)cc23)c2cccn2n1
Show InChI InChI=1S/C21H15BrN6/c1-13-4-2-5-18(24-13)20-26-21(19-6-3-11-28(19)27-20)25-17-9-10-23-16-8-7-14(22)12-15(16)17/h2-12H,1H3,(H,23,25,26,27)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387338
PNG
(N-{2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f...)
Show SMILES COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)F)ccnc2c1
Show InChI InChI=1S/C22H16F2N6O/c1-31-13-7-8-14-15(9-10-25-18(14)12-13)27-22-19-6-3-11-30(19)29-21(28-22)17-5-2-4-16(26-17)20(23)24/h2-12,20H,1H3,(H,25,27,28,29)
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n/an/a 3.12E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387353
PNG
(2-(methylsulfanyl)-4-(4-{1H-pyrrolo[3,2-c]pyridin-...)
Show SMILES CSc1nccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H13N7S/c1-26-18-20-8-4-13(21-18)16-22-17(15-3-2-9-25(15)23-16)24-10-6-12-11-19-7-5-14(12)24/h2-11H,1H3
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n/an/a 5.46E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387334
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccncc23)c2cccn2n1
Show InChI InChI=1S/C20H15N7/c1-13-4-2-5-17(23-13)19-25-20(18-6-3-11-27(18)26-19)24-16-8-10-22-15-7-9-21-12-14(15)16/h2-12H,1H3,(H,22,24,25,26)
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n/an/a 7.64E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387327
PNG
(6-methoxy-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f...)
Show SMILES COc1ccc2nccc(Nc3nc(nn4cccc34)-c3cccc(C)n3)c2c1
Show InChI InChI=1S/C22H18N6O/c1-14-5-3-6-19(24-14)21-26-22(20-7-4-12-28(20)27-21)25-18-10-11-23-17-9-8-15(29-2)13-16(17)18/h3-13H,1-2H3,(H,23,25,26,27)
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n/an/a 8.06E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387326
PNG
(2-(4-{1H-pyrrolo[2,3-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES c1cc2c(nc(nn2c1)-c1ccccn1)-n1ccc2ccncc12
Show InChI InChI=1S/C18H12N6/c1-2-8-20-14(4-1)17-21-18(15-5-3-10-24(15)22-17)23-11-7-13-6-9-19-12-16(13)23/h1-12H
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM387319
PNG
(N-(2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]t...)
Show SMILES COc1cccc(n1)-c1nc(Nc2ccc3ncccc3c2)c2cccn2n1
Show InChI InChI=1S/C21H16N6O/c1-28-19-8-2-6-17(24-19)20-25-21(18-7-4-12-27(18)26-20)23-15-9-10-16-14(13-15)5-3-11-22-16/h2-13H,1H3,(H,23,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Southern California



Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387339
PNG
(N-{2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f...)
Show SMILES FC(F)c1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
Show InChI InChI=1S/C20H13F2N7/c21-18(22)14-4-1-5-15(25-14)19-27-20(16-7-3-11-29(16)28-19)26-13-8-10-23-12-6-2-9-24-17(12)13/h1-11,18H,(H,23,26,27,28)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387350
PNG
(2-methoxy-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrr...)
Show SMILES COc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H14N6O/c1-26-17-6-2-4-14(21-17)18-22-19(16-5-3-10-25(16)23-18)24-11-8-13-12-20-9-7-15(13)24/h2-12H,1H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387343
PNG
(N-[6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrolo[2,1...)
Show SMILES CS(=O)(=O)Nc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H15N7O2S/c1-29(27,28)24-17-6-2-4-14(21-17)18-22-19(16-5-3-10-26(16)23-18)25-11-8-13-12-20-9-7-15(13)25/h2-12H,1H3,(H,21,24)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387323
PNG
(1-methyl-N-[2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]t...)
Show SMILES Cn1cnc2ccc(Nc3nc(nn4cccc34)-c3ccccn3)cc12
Show InChI InChI=1S/C19H15N7/c1-25-12-21-14-8-7-13(11-17(14)25)22-19-16-6-4-10-26(16)24-18(23-19)15-5-2-3-9-20-15/h2-12H,1H3,(H,22,23,24)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387337
PNG
(7-methoxy-N-{2-[6-(trifluoromethyl)pyridin-2-yl]py...)
Show SMILES COc1ccc2c(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccnc2c1
Show InChI InChI=1S/C22H15F3N6O/c1-32-13-7-8-14-15(9-10-26-17(14)12-13)28-21-18-5-3-11-31(18)30-20(29-21)16-4-2-6-19(27-16)22(23,24)25/h2-12H,1H3,(H,26,28,29,30)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387346
PNG
(2-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrrolo[2,1-f]...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H11F3N6/c20-19(21,22)16-5-1-3-13(24-16)17-25-18(15-4-2-9-28(15)26-17)27-10-7-12-11-23-8-6-14(12)27/h1-11H
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387331
PNG
(6-chloro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(Cl)cc23)c2cccn2n1
Show InChI InChI=1S/C21H15ClN6/c1-13-4-2-5-18(24-13)20-26-21(19-6-3-11-28(19)27-20)25-17-9-10-23-16-8-7-14(22)12-15(16)17/h2-12H,1H3,(H,23,25,26,27)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387320
PNG
(3-fluoro-6-methyl-2-(4-{1H-pyrrolo[3,2-c]pyridin-1...)
Show SMILES Cc1ccc(F)c(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C19H13FN6/c1-12-4-5-14(20)17(22-12)18-23-19(16-3-2-9-26(16)24-18)25-10-7-13-11-21-8-6-15(13)25/h2-11H,1H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387348
PNG
(2-methoxy-6-(4-{1H-pyrazolo[4,3-c]pyridin-1-yl}pyr...)
Show SMILES COc1cccc(n1)-c1nc(-n2ncc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C18H13N7O/c1-26-16-6-2-4-13(21-16)17-22-18(15-5-3-9-24(15)23-17)25-14-7-8-19-10-12(14)11-20-25/h2-11H,1H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387345
PNG
(2-cyclopropyl-6-(4-{1H-pyrrolo[3,2-c]pyridin-1-yl}...)
Show SMILES C1CC1c1cccc(n1)-c1nc(-n2ccc3cnccc23)c2cccn2n1
Show InChI InChI=1S/C21H16N6/c1-3-16(14-6-7-14)23-17(4-1)20-24-21(19-5-2-11-27(19)25-20)26-12-9-15-13-22-10-8-18(15)26/h1-5,8-14H,6-7H2
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387342
PNG
(2-(5-chloro-4-{1H-pyrrolo[3,2-c]pyridin-1-yl}pyrro...)
Show SMILES COc1cccc(n1)-c1nc(-n2ccc3cnccc23)c2c(Cl)ccn2n1
Show InChI InChI=1S/C19H13ClN6O/c1-27-16-4-2-3-14(22-16)18-23-19(17-13(20)7-10-26(17)24-18)25-9-6-12-11-21-8-5-15(12)25/h2-11H,1H3
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387330
PNG
(6-fluoro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(F)cc23)c2cccn2n1
Show InChI InChI=1S/C21H15FN6/c1-13-4-2-5-18(24-13)20-26-21(19-6-3-11-28(19)27-20)25-17-9-10-23-16-8-7-14(22)12-15(16)17/h2-12H,1H3,(H,23,25,26,27)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387332
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccc(cc23)C(F)(F)F)c2cccn2n1
Show InChI InChI=1S/C22H15F3N6/c1-13-4-2-5-18(27-13)20-29-21(19-6-3-11-31(19)30-20)28-17-9-10-26-16-8-7-14(12-15(16)17)22(23,24)25/h2-12H,1H3,(H,26,28,29,30)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387318
PNG
(N-{2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc3cccnc23)c2cccn2n1
Show InChI InChI=1S/C20H12F3N7/c21-20(22,23)16-7-1-4-14(26-16)18-28-19(15-6-3-11-30(15)29-18)27-13-8-10-24-12-5-2-9-25-17(12)13/h1-11H,(H,24,27,28,29)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387354
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cccn2n1
Show InChI InChI=1S/C19H15N7/c1-12-4-2-5-16(21-12)18-23-19(17-6-3-9-26(17)25-18)22-14-7-8-15-13(10-14)11-20-24-15/h2-11H,1H3,(H,20,24)(H,22,23,25)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM387319
PNG
(N-(2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]t...)
Show SMILES COc1cccc(n1)-c1nc(Nc2ccc3ncccc3c2)c2cccn2n1
Show InChI InChI=1S/C21H16N6O/c1-28-19-8-2-6-17(24-19)20-25-21(18-7-4-12-27(18)26-20)23-15-9-10-16-14(13-15)5-3-11-22-16/h2-13H,1H3,(H,23,25,26)
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n/an/a>1.50E+4n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%