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Compile Data Set for Download or QSAR

Found 1607 hits of ic50 data for polymerid = 50003130   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557765
PNG
(CHEMBL4791414)
Show SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCC(C)(C)O)-c1ccnc(OC2CC2)c1
PDB
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n/an/a 0.310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557761
PNG
(CHEMBL4758580)
Show SMILES COc1cn2ncc(-c3ccnc(OC(C)C)c3)c2nc1-c1cnn(C)c1
PDB
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n/an/a 0.560n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557764
PNG
(CHEMBL4787891)
Show SMILES COc1cn2ncc(-c3ccnc(OC4CCC4)c3)c2nc1-c1cnn(C)c1
PDB
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n/an/a 0.610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557766
PNG
(CHEMBL4751832)
Show SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1
PDB
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n/an/a 0.830n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557742
PNG
(CHEMBL4752199)
Show SMILES CNc1nc2c(cnn2cc1OC)-c1ccnc(OC)c1
PDB
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557753
PNG
(CHEMBL4748097)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C(C)C
PDB
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557760
PNG
(CHEMBL4749011)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)-c1cnn(C)c1
PDB
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557756
PNG
(CHEMBL4779273)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C1CCOC1
PDB
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557755
PNG
(CHEMBL4782729)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C1CCCC1
PDB
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434751
PNG
(CHEMBL2385579)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)
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n/an/a 1.40n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557744
PNG
(CHEMBL4741185)
Show SMILES CCc1cn2ncc(-c3ccnc(OC)c3)c2nc1NC
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557763
PNG
(CHEMBL4744618)
Show SMILES COc1cn2ncc(-c3ccnc(OC4CC4)c3)c2nc1-c1cnn(C)c1
PDB
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557767
PNG
(CHEMBL4764221)
Show SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCCCC(C)(C)O)-c1ccnc(OC2CC2)c1
PDB
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557759
PNG
(CHEMBL4763627)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)-c1cc(C)no1
PDB
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557746
PNG
(CHEMBL4779579)
Show SMILES CNc1nc2c(cnn2cc1C)-c1ccnc(OC)c1
PDB
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557757
PNG
(CHEMBL4792464)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)[C@H]1COC(C)(C)C1 |r|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557745
PNG
(CHEMBL4741913)
Show SMILES CNc1nc2c(cnn2cc1C=C)-c1ccnc(OC)c1
PDB
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557754
PNG
(CHEMBL4764416)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)C(C)(C)O
PDB
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557758
PNG
(CHEMBL4749061)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)[C@@H]1COC(C)(C)C1 |r|
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557743
PNG
(CHEMBL4744988)
Show SMILES CNc1nc2c(cnn2cc1C1CC1)-c1ccnc(OC)c1
PDB
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557747
PNG
(CHEMBL4795223)
Show SMILES CNc1ccn2ncc(-c3ccnc(OC)c3)c2n1
PDB
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557739
PNG
(CHEMBL4798505)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(C)nc12
PDB
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557762
PNG
(CHEMBL4747422)
Show SMILES COc1cn2ncc(-c3ccnc(OC(C)(C)C)c3)c2nc1-c1cnn(C)c1
PDB
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50468181
PNG
(CHEMBL4289841)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)nc1
Show InChI InChI=1S/C19H14FN5O/c1-11(26)24-16-9-12(6-8-21-16)18-17(13-4-5-15(20)23-10-13)19-14(25-18)3-2-7-22-19/h2-10,25H,1H3,(H,21,24,26)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of wild type TGFbetaR2 (unknown origin) kinase domain after 1 hr by HTRF assay


ACS Med Chem Lett 9: 1117-1122 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0R22
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557740
PNG
(CHEMBL4777071)
Show SMILES COc1cc(ccn1)-c1cnn2cc(OC)c(nc12)N(C)C
PDB
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406800
PNG
(4-{[2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4...)
Show SMILES NC(=O)c1cnccc1Nc1nc(nn2cccc12)-c1ccccn1
Show InChI InChI=1S/C17H13N7O/c18-15(25)11-10-19-8-6-12(11)21-17-14-5-3-9-24(14)23-16(22-17)13-4-1-2-7-20-13/h1-10H,(H2,18,25)(H,19,21,22,23)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434750
PNG
(CHEMBL2385596)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H24N6/c1-30-12-14-31(15-13-30)21-8-6-19(7-9-21)20-16-28-26-24(17-29-32(26)18-20)22-10-11-27-25-5-3-2-4-23(22)25/h2-11,16-18H,12-15H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557741
PNG
(CHEMBL4750258)
Show SMILES COc1cnc2c(cnn2c1)-c1ccnc(OC)c1
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM407007
PNG
(N-(4-{[2-(6-fluoropyridin-2-yl)pyrrolo[2,1-f][1,2,...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(F)n2)ccn1
Show InChI InChI=1S/C18H14FN7O/c1-11(27)21-16-10-12(7-8-20-16)22-18-14-5-3-9-26(14)25-17(24-18)13-4-2-6-15(19)23-13/h2-10H,1H3,(H2,20,21,22,24,25,27)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM407009
PNG
(N-(4-{[5-(morpholin-4-ylmethyl)-2-(pyridin-2-yl)py...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCOCC4)c23)-c2ccccn2)ccn1
Show InChI InChI=1S/C23H24N8O2/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434748
PNG
(CHEMBL2385600)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C16H13N5O/c1-22-14-4-2-11(3-5-14)13-6-17-16-15(9-20-21(16)10-13)12-7-18-19-8-12/h2-10H,1H3,(H,18,19)
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n/an/a 16n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM412782
PNG
(N-(4-{[2-(5-fluoro-6-methylpyridin-2-yl)-7H-pyrrol...)
Show SMILES Cc1nc(ccc1F)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C21H18FN7O/c1-11-15(22)4-5-16(25-11)20-28-18-14(7-9-24-18)19(29-20)26-13-6-8-23-17(10-13)27-21(30)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,23,24,26,27,28,29,30)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


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...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434752
PNG
(CHEMBL2385582)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H21N5O/c1-2-4-24-22(3-1)21(9-10-26-24)23-16-28-30-17-19(15-27-25(23)30)18-5-7-20(8-6-18)29-11-13-31-14-12-29/h1-10,15-17H,11-14H2
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n/an/a 26n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557752
PNG
(CHEMBL4763122)
Show SMILES CCc1nc2c(cnn2cc1OC)-c1ccnc(OC)c1
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434749
PNG
(CHEMBL2385586)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H19N7/c1-3-17(25-7-5-20-6-8-25)4-2-14(1)16-9-21-19-18(12-24-26(19)13-16)15-10-22-23-11-15/h1-4,9-13,20H,5-8H2,(H,22,23)
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n/an/a 38n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
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-2


(Homo sapiens (Human))
BDBM50468191
PNG
(CHEMBL4279160)
Show SMILES COc1ccc(cn1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C20H17N5O2/c1-12(26)24-16-10-13(7-9-21-16)19-18(14-5-6-17(27-2)23-11-14)20-15(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of wild type TGFbetaR2 (unknown origin) kinase domain after 1 hr by HTRF assay


ACS Med Chem Lett 9: 1117-1122 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00357
BindingDB Entry DOI: 10.7270/Q2KH0R22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM412756
PNG
(N-(4-((2-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccccn2)ccn1
Show InChI InChI=1S/C18H15N7O/c1-11(26)22-15-10-12(5-8-20-15)23-17-13-6-9-21-16(13)24-18(25-17)14-4-2-3-7-19-14/h2-10H,1H3,(H3,20,21,22,23,24,25,26)
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


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...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM407010
PNG
(N-(5-{[(2H-1,3-benzodioxol-5-ylmethyl)amino]methyl...)
Show SMILES Fc1cnccc1Nc1nc(nn2ccc(CNCc3ccc4OCOc4c3)c12)-c1ccccn1
Show InChI InChI=1S/C25H20FN7O2/c26-18-14-27-9-6-19(18)30-25-23-17(13-28-12-16-4-5-21-22(11-16)35-15-34-21)7-10-33(23)32-24(31-25)20-3-1-2-8-29-20/h1-11,14,28H,12-13,15H2,(H,27,30,31,32)
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n/an/a 51n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406990
PNG
(4-[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-...)
Show SMILES CC(O)CCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Show InChI InChI=1S/C21H22FN7O/c1-14(30)5-9-23-12-15-7-11-29-19(15)21(26-17-6-10-24-13-16(17)22)27-20(28-29)18-4-2-3-8-25-18/h2-4,6-8,10-11,13-14,23,30H,5,9,12H2,1H3,(H,24,26,27,28)
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n/an/a 66n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50110208
PNG
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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n/an/a 66n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGBR2 signaling in human HEK293T cells assessed as inhibition of SMAD activation after 2 to 22 hrs by dual Luciferase Assay


J Med Chem 55: 9946-57 (2012)


Article DOI: 10.1021/jm301144g
BindingDB Entry DOI: 10.7270/Q2DF6SCJ
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406978
PNG
(3-fluoro-N-[2-(1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2...)
Show SMILES Fc1cnccc1Nc1nc(nn2cccc12)-c1cscn1
Show InChI InChI=1S/C14H9FN6S/c15-9-6-16-4-3-10(9)18-14-12-2-1-5-21(12)20-13(19-14)11-7-22-8-17-11/h1-8H,(H,16,18,19,20)
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50557749
PNG
(CHEMBL4783244)
Show SMILES C1COCCOc2cccc(c2)-c2cnn3ccc(N1)nc23
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measure...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00679
BindingDB Entry DOI: 10.7270/Q2PG1WD5
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406696
PNG
(N-[2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-...)
Show SMILES N(c1ccncc1)c1nc(nn2cccc12)-c1ccccn1
Show InChI InChI=1S/C16H12N6/c1-2-8-18-13(4-1)15-20-16(14-5-3-11-22(14)21-15)19-12-6-9-17-10-7-12/h1-11H,(H,17,19,20,21)
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n/an/a 77n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFbetaR2 (unknown origin) after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)


Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406779
PNG
(3-fluoro-N-[2-(4-methylpyridin-2-yl)pyrrolo[2,1-f]...)
Show SMILES Cc1ccnc(c1)-c1nc(Nc2ccncc2F)c2cccn2n1
Show InChI InChI=1S/C17H13FN6/c1-11-4-7-20-14(9-11)16-22-17(15-3-2-8-24(15)23-16)21-13-5-6-19-10-12(13)18/h2-10H,1H3,(H,19,21,22,23)
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406696
PNG
(N-[2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-...)
Show SMILES N(c1ccncc1)c1nc(nn2cccc12)-c1ccccn1
Show InChI InChI=1S/C16H12N6/c1-2-8-18-13(4-1)15-20-16(14-5-3-11-22(14)21-15)19-12-6-9-17-10-7-12/h1-11H,(H,17,19,20,21)
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM407061
PNG
(N-(4-{[2-(5-fluoro-6-methylpyridin-2-yl)pyrrolo[2,...)
Show SMILES Cc1nc(ccc1F)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cccn2n1
Show InChI InChI=1S/C21H18FN7O/c1-12-15(22)6-7-16(24-12)19-27-20(17-3-2-10-29(17)28-19)25-14-8-9-23-18(11-14)26-21(30)13-4-5-13/h2-3,6-11,13H,4-5H2,1H3,(H2,23,25,26,27,28,30)
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n/an/a 84n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM412752
PNG
(US10399987, Example 17 | methyl (4-((2-(6-(difluor...)
Show SMILES COC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)ccn1
Show InChI InChI=1S/C19H15F2N7O2/c1-30-19(29)26-14-9-10(5-7-22-14)24-17-11-6-8-23-16(11)27-18(28-17)13-4-2-3-12(25-13)15(20)21/h2-9,15H,1H3,(H3,22,23,24,26,27,28,29)
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myer Squibb Company

US Patent


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...


US Patent US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406818
PNG
(3-fluoro-N-[2-(2-methoxypyrimidin-4-yl)pyrrolo[2,1...)
Show SMILES COc1nccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
Show InChI InChI=1S/C16H12FN7O/c1-25-16-19-7-5-12(21-16)14-22-15(13-3-2-8-24(13)23-14)20-11-4-6-18-9-10(11)17/h2-9H,1H3,(H,18,20,22,23)
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


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...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
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