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Compile Data Set for Download or QSAR

Found 476 hits with Last Name = 'yokota' and Initial = 'm'   
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-2


(Homo sapiens (Human))
BDBM50557765
PNG
(CHEMBL4791414)
Show SMILES Cn1cc(cn1)-c1nc2c(cnn2cc1OCC(C)(C)O)-c1ccnc(OC2CC2)c1
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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
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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
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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
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243934
PNG
(2-[(4-Morpholin-4-ylphenyl)amino]-4-[(2,3,6-triflu...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1c(F)cc(F)cc1F
Show InChI InChI=1S/C22H21F3N6O2/c23-13-9-18(24)16(19(25)10-13)11-27-21-17(20(26)32)12-28-22(30-21)29-14-1-3-15(4-2-14)31-5-7-33-8-6-31/h1-4,9-10,12H,5-8,11H2,(H2,26,32)(H2,27,28,29,30)
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n/an/a 0.700n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
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
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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
Thromboxane A2 receptor


(RAT)
BDBM50013027
PNG
(CHEMBL262655 | Sodium; 3-[4-(4-chloro-benzenesulfo...)
Show SMILES CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(c2cc1)S([O-])(=O)=O
Show InChI InChI=1S/C23H26ClNO5S2/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30)/p-1
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)


Bioorg Med Chem Lett 3: 1687-1692 (1993)


Article DOI: 10.1016/S0960-894X(00)80043-8
BindingDB Entry DOI: 10.7270/Q2H70FQG
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
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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))
BDBM50557742
PNG
(CHEMBL4752199)
Show SMILES CNc1nc2c(cnn2cc1OC)-c1ccnc(OC)c1
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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
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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
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50167609
PNG
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
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
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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
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244291
PNG
(4-[(2-Fluorobenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1F
Show InChI InChI=1S/C22H23FN6O2/c23-19-4-2-1-3-15(19)13-25-21-18(20(24)30)14-26-22(28-21)27-16-5-7-17(8-6-16)29-9-11-31-12-10-29/h1-8,14H,9-13H2,(H2,24,30)(H2,25,26,27,28)
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50167609
PNG
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
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
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243884
PNG
(4-[(2,5-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cc(F)ccc1F
Show InChI InChI=1S/C22H22F2N6O2/c23-15-1-6-19(24)14(11-15)12-26-21-18(20(25)31)13-27-22(29-21)28-16-2-4-17(5-3-16)30-7-9-32-10-8-30/h1-6,11,13H,7-10,12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 1.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
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
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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
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243933
PNG
(2-[(4-Morpholin-4-ylphenyl)amino]-4-[(2,3,5-triflu...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cc(F)cc(F)c1F
Show InChI InChI=1S/C22H21F3N6O2/c23-14-9-13(19(25)18(24)10-14)11-27-21-17(20(26)32)12-28-22(30-21)29-15-1-3-16(4-2-15)31-5-7-33-8-6-31/h1-4,9-10,12H,5-8,11H2,(H2,26,32)(H2,27,28,29,30)
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n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244292
PNG
(4-[(3-Fluorobenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(F)c1
Show InChI InChI=1S/C22H23FN6O2/c23-16-3-1-2-15(12-16)13-25-21-19(20(24)30)14-26-22(28-21)27-17-4-6-18(7-5-17)29-8-10-31-11-9-29/h1-7,12,14H,8-11,13H2,(H2,24,30)(H2,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
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
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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
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243882
PNG
(4-[(2,3-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(F)c1F
Show InChI InChI=1S/C22H22F2N6O2/c23-18-3-1-2-14(19(18)24)12-26-21-17(20(25)31)13-27-22(29-21)28-15-4-6-16(7-5-15)30-8-10-32-11-9-30/h1-7,13H,8-12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243885
PNG
(4-[(2,6-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1c(F)cccc1F
Show InChI InChI=1S/C22H22F2N6O2/c23-18-2-1-3-19(24)16(18)12-26-21-17(20(25)31)13-27-22(29-21)28-14-4-6-15(7-5-14)30-8-10-32-11-9-30/h1-7,13H,8-12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 2.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
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
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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
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341819
PNG
((1S,2R,3R)-1-(6-Chloro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17ClN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
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
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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
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50104963
PNG
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)
Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
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
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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
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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
Collagenase 3


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
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
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50381555
PNG
(CHEMBL2018097)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21ClO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulation after 2 hrs by scintillation counting


Bioorg Med Chem 20: 3263-79 (2012)


Article DOI: 10.1016/j.bmc.2012.03.051
BindingDB Entry DOI: 10.7270/Q2W66MSS
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
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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
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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
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
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
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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
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50243932
PNG
(4-[(3,5-Difluorobenzyl)amino]-2-[(4-morpholin-4-yl...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C22H22F2N6O2/c23-15-9-14(10-16(24)11-15)12-26-21-19(20(25)31)13-27-22(29-21)28-17-1-3-18(4-2-17)30-5-7-32-8-6-30/h1-4,9-11,13H,5-8,12H2,(H2,25,31)(H2,26,27,28,29)
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n/an/a 5.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244256
PNG
(4-Benzylamino-2-{[4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)cc1
Show InChI InChI=1S/C23H27N7O/c1-29-11-13-30(14-12-29)19-9-7-18(8-10-19)27-23-26-16-20(21(24)31)22(28-23)25-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H2,24,31)(H2,25,26,27,28)
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n/an/a 6.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244258
PNG
(4-(benzylamino)-2-(4-morpholinophenylamino)pyrimid...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1
Show InChI InChI=1S/C22H24N6O2/c23-20(29)19-15-25-22(27-21(19)24-14-16-4-2-1-3-5-16)26-17-6-8-18(9-7-17)28-10-12-30-13-11-28/h1-9,15H,10-14H2,(H2,23,29)(H2,24,25,26,27)
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n/an/a 6.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244257
PNG
(4-Benzylamino-2-[(4-piperazin-1-ylphenyl)amino]-py...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCNCC2)nc1NCc1ccccc1
Show InChI InChI=1S/C22H25N7O/c23-20(30)19-15-26-22(28-21(19)25-14-16-4-2-1-3-5-16)27-17-6-8-18(9-7-17)29-12-10-24-11-13-29/h1-9,15,24H,10-14H2,(H2,23,30)(H2,25,26,27,28)
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n/an/a 7n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
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
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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
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50381554
PNG
(CHEMBL2018096)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2cc3ccccc3s2)c1 |r|
Show InChI InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulation after 2 hrs by scintillation counting


Bioorg Med Chem 20: 3263-79 (2012)


Article DOI: 10.1016/j.bmc.2012.03.051
BindingDB Entry DOI: 10.7270/Q2W66MSS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 6


(Homo sapiens (Human))
BDBM50244331
PNG
(4-[(2-Chlorobenzyl)amino]-2-[(4-morpholin-4-ylphen...)
Show SMILES NC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccccc1Cl
Show InChI InChI=1S/C22H23ClN6O2/c23-19-4-2-1-3-15(19)13-25-21-18(20(24)30)14-26-22(28-21)27-16-5-7-17(8-6-16)29-9-11-31-12-10-29/h1-8,14H,9-13H2,(H2,24,30)(H2,25,26,27,28)
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n/an/a 7.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of STAT6 activation (unknown origin) in FW4 reporter cells


Bioorg Med Chem 16: 6509-21 (2008)


Article DOI: 10.1016/j.bmc.2008.05.031
BindingDB Entry DOI: 10.7270/Q2VD6Z7H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50436116
PNG
(CHEMBL2397452)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2cc3cccccc3c2)c1 |r|
Show InChI InChI=1S/C23H23ClO5/c24-18-7-6-16(23-22(28)21(27)20(26)19(12-25)29-23)11-17(18)10-13-8-14-4-2-1-3-5-15(14)9-13/h1-9,11,19-23,25-28H,10,12H2/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Astellas Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation


Bioorg Med Chem 21: 3934-48 (2013)


Article DOI: 10.1016/j.bmc.2013.03.067
BindingDB Entry DOI: 10.7270/Q2ZC848C
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
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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
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