BindingDB logo
myBDB logout

Patent code US8772297

Compile Data Set for Download or QSAR
Found 20 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))		BDBM125988
PNG
(US8772297, Y244)
Show SMILES CN(C)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1-c1ccco1
Show InChI InChI=1S/C29H38N4O7S2/c1-29(2,3)40-28(34)33-15-13-21(14-16-33)20-30-41(35,36)23-8-6-9-24(19-23)42(37,38)31-22-11-12-26(32(4)5)25(18-22)27-10-7-17-39-27/h6-12,17-19,21,30-31H,13-16,20H2,1-5H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 600n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125985
PNG
(US8772297, Y241)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N=[N+]=[N-])CC1
Show InChI InChI=1S/C23H30N6O6S2/c1-23(2,3)35-22(30)29-13-11-17(12-14-29)16-25-36(31,32)20-5-4-6-21(15-20)37(33,34)27-19-9-7-18(8-10-19)26-28-24/h4-10,15,17,25,27H,11-14,16H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 700n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125986
PNG
(US8772297, Y260)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C32H47N5O8S2/c1-31(2,3)44-29(38)36-16-14-24(15-17-36)23-33-46(40,41)27-8-7-9-28(22-27)47(42,43)34-25-10-12-26(13-11-25)35-18-20-37(21-19-35)30(39)45-32(4,5)6/h7-13,22,24,33-34H,14-21,23H2,1-6H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125979
PNG
(US8772297, Y177)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C27H39N3O6S2/c1-26(2,3)21-10-12-22(13-11-21)29-38(34,35)24-9-7-8-23(18-24)37(32,33)28-19-20-14-16-30(17-15-20)25(31)36-27(4,5)6/h7-13,18,20,28-29H,14-17,19H2,1-6H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125980
PNG
(US8772297, Y224)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCCCC2)CC1
Show InChI InChI=1S/C28H40N4O6S2/c1-28(2,3)38-27(33)32-18-14-22(15-19-32)21-29-39(34,35)25-8-7-9-26(20-25)40(36,37)30-23-10-12-24(13-11-23)31-16-5-4-6-17-31/h7-13,20,22,29-30H,4-6,14-19,21H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125989
PNG
(US8772297, Y250)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(N3CCCCC3)c(c2)-c2ccco2)CC1
Show InChI InChI=1S/C32H42N4O7S2/c1-32(2,3)43-31(37)36-18-14-24(15-19-36)23-33-44(38,39)26-9-7-10-27(22-26)45(40,41)34-25-12-13-29(35-16-5-4-6-17-35)28(21-25)30-11-8-20-42-30/h7-13,20-22,24,33-34H,4-6,14-19,23H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125981
PNG
(US8772297, Y186)
Show SMILES CCN(CC)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C27H40N4O6S2/c1-6-30(7-2)23-13-11-22(12-14-23)29-39(35,36)25-10-8-9-24(19-25)38(33,34)28-20-21-15-17-31(18-16-21)26(32)37-27(3,4)5/h8-14,19,21,28-29H,6-7,15-18,20H2,1-5H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125991
PNG
(US8772297, Y296)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)-c2cccs2)CC1
Show InChI InChI=1S/C27H33N3O6S3/c1-27(2,3)36-26(31)30-14-12-20(13-15-30)19-28-38(32,33)23-9-5-10-24(18-23)39(34,35)29-22-8-4-7-21(17-22)25-11-6-16-37-25/h4-11,16-18,20,28-29H,12-15,19H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125990
PNG
(US8772297, Y284)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)-c2ccco2)CC1
Show InChI InChI=1S/C27H33N3O7S2/c1-27(2,3)37-26(31)30-14-12-20(13-15-30)19-28-38(32,33)23-9-5-10-24(18-23)39(34,35)29-22-8-4-7-21(17-22)25-11-6-16-36-25/h4-11,16-18,20,28-29H,12-15,19H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125987
PNG
(US8772297, Y366)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C34H43N5O7S2/c1-34(2,3)46-33(41)39-18-16-26(17-19-39)25-35-47(42,43)30-10-7-11-31(24-30)48(44,45)36-28-12-14-29(15-13-28)37-20-22-38(23-21-37)32(40)27-8-5-4-6-9-27/h4-15,24,26,35-36H,16-23,25H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 7.30E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125976
PNG
(US8772297, Y145)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H30F3N3O6S2/c1-23(2,3)36-22(31)30-13-11-17(12-14-30)16-28-37(32,33)20-5-4-6-21(15-20)38(34,35)29-19-9-7-18(8-10-19)24(25,26)27/h4-10,15,17,28-29H,11-14,16H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 8.00E+3n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125978
PNG
(US8772297, Y155)
Show SMILES Cc1ccccc1NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33N3O6S2/c1-18-8-5-6-11-22(18)26-35(31,32)21-10-7-9-20(16-21)34(29,30)25-17-19-12-14-27(15-13-19)23(28)33-24(2,3)4/h5-11,16,19,25-26H,12-15,17H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125982
PNG
(US8772297, Y178)
Show SMILES CN(C)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C25H36N4O6S2/c1-25(2,3)35-24(30)29-15-13-19(14-16-29)18-26-36(31,32)22-7-6-8-23(17-22)37(33,34)27-20-9-11-21(12-10-20)28(4)5/h6-12,17,19,26-27H,13-16,18H2,1-5H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125984
PNG
(US8772297, Y196)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(O)cc2)CC1
Show InChI InChI=1S/C23H31N3O7S2/c1-23(2,3)33-22(28)26-13-11-17(12-14-26)16-24-34(29,30)20-5-4-6-21(15-20)35(31,32)25-18-7-9-19(27)10-8-18/h4-10,15,17,24-25,27H,11-14,16H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125973
PNG
(US8772297, Y141)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C24H33N3O7S2/c1-24(2,3)34-23(28)27-14-12-18(13-15-27)17-25-35(29,30)21-6-5-7-22(16-21)36(31,32)26-19-8-10-20(33-4)11-9-19/h5-11,16,18,25-26H,12-15,17H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.70E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125977
PNG
(US8772297, Y147)
Show SMILES CC(=O)Nc1ccccc1NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H34N4O7S2/c1-18(30)27-22-10-5-6-11-23(22)28-38(34,35)21-9-7-8-20(16-21)37(32,33)26-17-19-12-14-29(15-13-19)24(31)36-25(2,3)4/h5-11,16,19,26,28H,12-15,17H2,1-4H3,(H,27,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125974
PNG
(US8772297, Y142)
Show SMILES COc1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C24H33N3O7S2/c1-24(2,3)34-23(28)27-13-11-18(12-14-27)17-25-35(29,30)21-9-6-10-22(16-21)36(31,32)26-19-7-5-8-20(15-19)33-4/h5-10,15-16,18,25-26H,11-14,17H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.20E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125983
PNG
(US8772297, Y185)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C27H38N4O7S2/c1-27(2,3)38-26(32)31-13-11-21(12-14-31)20-28-39(33,34)24-5-4-6-25(19-24)40(35,36)29-22-7-9-23(10-8-22)30-15-17-37-18-16-30/h4-10,19,21,28-29H,11-18,20H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.40E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125972
PNG
(US8772297, Y098)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C23H31N3O6S2/c1-23(2,3)32-22(27)26-14-12-18(13-15-26)17-24-33(28,29)20-10-7-11-21(16-20)34(30,31)25-19-8-5-4-6-9-19/h4-11,16,18,24-25H,12-15,17H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.70E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM125975
PNG
(US8772297, Y140)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33N3O7S2/c1-24(2,3)34-23(28)27-14-12-18(13-15-27)17-25-35(29,30)19-8-7-9-20(16-19)36(31,32)26-21-10-5-6-11-22(21)33-4/h5-11,16,18,25-26H,12-15,17H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto University

US Patent


Assay Description
The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...

US Patent US8772297 (2014)


BindingDB Entry DOI: 10.7270/Q2XS5T2N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%