Found 120 hits with Last Name = 'yang' and Initial = 'jl' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50151347
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22) | PDB
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B.MOAD
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CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301158
(4-(3-methylpyridin-2-yl)-5-(1,5-naphthyridin-2-yl)...)Show InChI InChI=1S/C17H13N5S/c1-10-4-2-9-20-14(10)15-16(23-17(18)22-15)13-7-6-11-12(21-13)5-3-8-19-11/h2-9H,1H3,(H2,18,22) | PDB
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50214864
(3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1...)Show SMILES Cc1cccc(n1)-c1nc(CNc2cccc(c2)C(N)=O)[nH]c1-c1ccc2nccnc2c1 Show InChI InChI=1S/C25H21N7O/c1-15-4-2-7-20(30-15)24-23(16-8-9-19-21(13-16)28-11-10-27-19)31-22(32-24)14-29-18-6-3-5-17(12-18)25(26)33/h2-13,29H,14H2,1H3,(H2,26,33)(H,31,32) | PDB
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50151353
(4-(4-Fluoro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)Show InChI InChI=1S/C17H11FN4S/c18-11-5-3-10(4-6-11)15-16(23-17(19)22-15)14-8-7-12-13(21-14)2-1-9-20-12/h1-9H,(H2,19,22) | PDB
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50151363
(4-(3-Chloro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)Show InChI InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301167
(CHEMBL567706 | N,N-dimethyl-3-(3-(4-(3-(pyridin-2-...)Show SMILES CN(C)CCCc1cccc(c1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C24H25N5/c1-29(2)14-6-8-18-7-5-9-20(15-18)23-16-19(11-13-26-23)21-17-27-28-24(21)22-10-3-4-12-25-22/h3-5,7,9-13,15-17H,6,8,14H2,1-2H3,(H,27,28) | PDB
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PC sid
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301159
(1-(2-(dimethylamino)ethyl)-3-(4-(2-(pyridin-2-yl)-...)Show SMILES CN(C)CCNC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(10.72,-21.09,;10.76,-19.56,;9.44,-18.74,;12.11,-18.82,;12.16,-17.27,;10.84,-16.47,;10.88,-14.93,;9.57,-14.13,;12.24,-14.2,;13.55,-15,;14.9,-14.28,;16.21,-15.08,;16.16,-16.61,;17.48,-17.42,;17.43,-18.95,;16.08,-19.68,;14.76,-18.88,;14.81,-17.34,;13.51,-16.54,;18.84,-16.69,;19.31,-15.21,;18.82,-13.74,;20.06,-12.83,;21.31,-13.72,;20.85,-15.21,;21.33,-16.68,;20.07,-17.58,;20.07,-19.12,;18.74,-19.89,;18.74,-21.44,;20.07,-22.21,;21.41,-21.44,;21.41,-19.89,)| Show InChI InChI=1S/C25H27N7O/c1-31(2)15-13-28-25(33)29-17-8-9-18-19(10-12-27-21(18)16-17)23-22-7-5-14-32(22)30-24(23)20-6-3-4-11-26-20/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H2,28,29,33) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184872
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50151357
(2-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyri...)Show InChI InChI=1S/C16H11N5/c1-2-8-18-15(4-1)16-11(10-19-21-16)12-6-7-13-14(20-12)5-3-9-17-13/h1-10H,(H,19,21) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50151346
(5-(1,5-naphthyridin-2-yl)-4-(pyridin-2-yl)thiazol-...)Show InChI InChI=1S/C16H11N5S/c17-16-21-14(12-4-1-2-8-19-12)15(22-16)13-7-6-10-11(20-13)5-3-9-18-10/h1-9H,(H2,17,21) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301168
(4-((4-(3a,4-dihydrobenzo[d][1,3]dioxol-5-yl)-5-(6-...)Show SMILES Cc1cccc(n1)-c1nc(CNc2ccc(cc2)C(N)=O)[nH]c1C1=CC=C2OCOC2C1 |t:26,28| Show InChI InChI=1S/C24H23N5O3/c1-14-3-2-4-18(27-14)23-22(16-7-10-19-20(11-16)32-13-31-19)28-21(29-23)12-26-17-8-5-15(6-9-17)24(25)30/h2-10,20,26H,11-13H2,1H3,(H2,25,30)(H,28,29) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301160
(4-((4-(3a,4-dihydrobenzo[d][1,3]dioxol-5-yl)-5-(6-...)Show SMILES Cc1cccc(n1)-c1nc(NCc2ccc(cc2)C#N)[nH]c1C1=CC=C2OCOC2C1 |t:25,27| Show InChI InChI=1S/C24H21N5O2/c1-15-3-2-4-19(27-15)23-22(18-9-10-20-21(11-18)31-14-30-20)28-24(29-23)26-13-17-7-5-16(12-25)6-8-17/h2-10,21H,11,13-14H2,1H3,(H2,26,28,29) | PDB
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PC cid
PC sid
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184886
(2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H...)Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-6-4-13(5-7-15)18-11-14(8-10-25-18)16-12-26-27-19(16)17-3-1-2-9-24-17/h1-12H,(H,26,27) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301169
(4-(4-(2-isopropyl-4-(6-methylpyridin-2-yl)-1H-imid...)Show SMILES CC(C)c1nc(c([nH]1)-c1ccnc(c1)-c1ccc(cc1)C(=O)NC1CCOCC1)-c1cccc(C)n1 Show InChI InChI=1S/C29H31N5O2/c1-18(2)28-33-26(27(34-28)24-6-4-5-19(3)31-24)22-11-14-30-25(17-22)20-7-9-21(10-8-20)29(35)32-23-12-15-36-16-13-23/h4-11,14,17-18,23H,12-13,15-16H2,1-3H3,(H,32,35)(H,33,34) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184880
(1-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-...)Show SMILES CC(=O)COc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C22H18N4O2/c1-15(27)14-28-18-7-5-16(6-8-18)21-12-17(9-11-24-21)19-13-25-26-22(19)20-4-2-3-10-23-20/h2-13H,14H2,1H3,(H,25,26) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301170
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)Show SMILES OC(=O)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C20H14N4O2/c25-20(26)14-6-4-13(5-7-14)18-11-15(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24)(H,25,26) | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184896
(2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyr...)Show SMILES C(Cn1ccnc1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C24H20N6O/c1-2-9-26-22(3-1)24-21(16-28-29-24)19-8-10-27-23(15-19)18-4-6-20(7-5-18)31-14-13-30-12-11-25-17-30/h1-12,15-17H,13-14H2,(H,28,29) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301171
(5-(8-methylquinolin-2-yl)-4-(pyridin-2-yl)thiazol-...)Show InChI InChI=1S/C18H14N4S/c1-11-5-4-6-12-8-9-14(21-15(11)12)17-16(22-18(19)23-17)13-7-2-3-10-20-13/h2-10H,1H3,(H2,19,22) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50132992
(4-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenol...)Show InChI InChI=1S/C15H13N3O/c1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h2-9,19H,1H3,(H,16,18) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301172
(3-hydroxy-N-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-py...)Show SMILES OCCC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-.41,-10.95,;.91,-10.15,;2.26,-10.9,;3.58,-10.1,;3.55,-8.56,;4.93,-10.85,;6.25,-10.05,;6.22,-8.51,;7.54,-7.72,;8.88,-8.47,;10.2,-7.67,;11.54,-8.42,;11.57,-9.96,;10.25,-10.76,;8.9,-10.01,;7.59,-10.79,;10.17,-6.13,;8.91,-5.25,;7.37,-5.27,;6.87,-3.81,;8.11,-2.89,;9.37,-3.78,;10.91,-3.75,;11.41,-5.21,;12.74,-5.97,;12.75,-7.51,;14.09,-8.28,;15.42,-7.5,;15.4,-5.95,;14.06,-5.19,)| Show InChI InChI=1S/C23H21N5O2/c29-13-9-21(30)26-15-6-7-16-17(8-11-25-19(16)14-15)22-20-5-3-12-28(20)27-23(22)18-4-1-2-10-24-18/h1-2,4,6-8,10-11,14,29H,3,5,9,12-13H2,(H,26,30) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301173
(3-methoxy-N-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-py...)Show SMILES COCCC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-.85,-11.96,;.5,-12.7,;1.82,-11.9,;3.17,-12.65,;4.49,-11.86,;4.46,-10.31,;5.84,-12.6,;7.16,-11.81,;7.14,-10.27,;8.45,-9.48,;9.79,-10.23,;11.11,-9.43,;12.46,-10.17,;12.49,-11.71,;11.16,-12.51,;9.81,-11.76,;8.5,-12.54,;11.09,-7.89,;9.82,-7,;8.28,-7.02,;7.79,-5.57,;9.02,-4.64,;10.28,-5.53,;11.82,-5.5,;12.32,-6.96,;13.65,-7.72,;13.66,-9.27,;15,-10.03,;16.33,-9.25,;16.32,-7.7,;14.98,-6.94,)| Show InChI InChI=1S/C24H23N5O2/c1-31-14-10-22(30)27-16-7-8-17-18(9-12-26-20(17)15-16)23-21-6-4-13-29(21)28-24(23)19-5-2-3-11-25-19/h2-3,5,7-9,11-12,15H,4,6,10,13-14H2,1H3,(H,27,30) | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184873
(2-[4-cyanophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-y...)Show SMILES N#Cc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C20H13N5/c21-12-14-4-6-15(7-5-14)19-11-16(8-10-23-19)17-13-24-25-20(17)18-3-1-2-9-22-18/h1-11,13H,(H,24,25) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184874
(2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(3-pyridin...)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C25H25N5O/c1-2-11-26-23(5-1)25-22(18-28-29-25)20-10-12-27-24(17-20)19-6-8-21(9-7-19)31-16-15-30-13-3-4-14-30/h1-2,5-12,17-18H,3-4,13-16H2,(H,28,29) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301174
(CHEMBL584928 | methyl 4-(2-(pyridin-2-yl)-5,6-dihy...)Show SMILES COC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-8.63,-32.71,;-7.28,-33.46,;-5.96,-32.66,;-5.99,-31.12,;-4.61,-33.41,;-3.29,-32.61,;-3.31,-31.07,;-2,-30.29,;-.66,-31.03,;.66,-30.24,;2.01,-30.98,;2.04,-32.52,;.71,-33.32,;-.64,-32.57,;-1.95,-33.35,;.64,-28.7,;-.63,-27.81,;-2.17,-27.83,;-2.66,-26.37,;-1.43,-25.45,;-.17,-26.34,;1.37,-26.31,;1.87,-27.77,;3.2,-28.53,;3.21,-30.08,;4.55,-30.84,;5.88,-30.06,;5.87,-28.51,;4.53,-27.75,)| Show InChI InChI=1S/C22H19N5O2/c1-29-22(28)25-14-7-8-15-16(9-11-24-18(15)13-14)20-19-6-4-12-27(19)26-21(20)17-5-2-3-10-23-17/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,25,28) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184489
(3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrr...)Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCO)c2c1 Show InChI InChI=1S/C22H23N5O/c1-15-5-2-6-18(24-15)22-21(19-7-3-11-27(19)25-22)16-8-9-17-20(13-16)26(14-23-17)10-4-12-28/h2,5-6,8-9,13-14,28H,3-4,7,10-12H2,1H3 | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184877
(4-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-...)Show SMILES C(N1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C24H23N5O/c1-2-9-25-22(3-1)24-21(16-27-28-24)20-8-10-26-23(15-20)19-6-4-18(5-7-19)17-29-11-13-30-14-12-29/h1-10,15-16H,11-14,17H2,(H,27,28) | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184900
(2-(4-chlorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-...)Show SMILES Clc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C19H13ClN4/c20-15-6-4-13(5-7-15)18-11-14(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24) | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301176
(4-((4-(3a,4-dihydrobenzo[d][1,3]dioxol-5-yl)-5-(6-...)Show SMILES CCc1cccc(n1)-c1nc(CNc2ccc(cc2)C(N)=O)[nH]c1C1=CC=C2OCOC2C1 |t:27,29| Show InChI InChI=1S/C25H25N5O3/c1-2-17-4-3-5-19(28-17)24-23(16-8-11-20-21(12-16)33-14-32-20)29-22(30-24)13-27-18-9-6-15(7-10-18)25(26)31/h3-11,21,27H,2,12-14H2,1H3,(H2,26,31)(H,29,30) | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301175
(4-((4-(3a,4-dihydrobenzo[d][1,3]dioxol-5-yl)-5-(6-...)Show SMILES Cc1cccc(n1)-c1nc(CNc2ccc(cc2)C#N)[nH]c1C1=CC=C2OCOC2C1 |t:25,27| Show InChI InChI=1S/C24H21N5O2/c1-15-3-2-4-19(27-15)24-23(17-7-10-20-21(11-17)31-14-30-20)28-22(29-24)13-26-18-8-5-16(12-25)6-9-18/h2-10,21,26H,11,13-14H2,1H3,(H,28,29) | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301177
(CHEMBL566234 | N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazo...)Show SMILES C(NC1CCCOC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C25H25N5O/c1-2-11-26-23(5-1)25-22(16-29-30-25)20-10-12-27-24(14-20)19-8-6-18(7-9-19)15-28-21-4-3-13-31-17-21/h1-2,5-12,14,16,21,28H,3-4,13,15,17H2,(H,29,30) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50148668
(4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo...)Show InChI InChI=1S/C18H17N3O/c1-12-4-2-5-15(19-12)18-17(13-7-9-14(22)10-8-13)16-6-3-11-21(16)20-18/h2,4-5,7-10,22H,3,6,11H2,1H3 | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301178
(4-((5-(6-ethylpyridin-2-yl)-4-(1,4,4a,8a-tetrahydr...)Show SMILES CCc1cccc(n1)-c1nc(CNc2ccc(cc2)C#N)[nH]c1C1=CC2N=CCNC2C=C1 |c:29,35,t:26| Show InChI InChI=1S/C26H25N7/c1-2-19-4-3-5-22(31-19)26-25(18-8-11-21-23(14-18)29-13-12-28-21)32-24(33-26)16-30-20-9-6-17(15-27)7-10-20/h3-11,13-14,21,23,28,30H,2,12,16H2,1H3,(H,32,33) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184901
(2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-...)Show InChI InChI=1S/C19H13FN4/c20-15-6-4-13(5-7-15)18-11-14(8-10-22-18)16-12-23-24-19(16)17-3-1-2-9-21-17/h1-12H,(H,23,24) | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50148666
(7-Chloro-4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-...)Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2cc(Cl)ccc12 |(11.77,-3.83,;10.24,-4.04,;9.66,-5.47,;8.12,-5.67,;7.17,-4.46,;7.75,-3.03,;9.29,-2.82,;6.81,-1.82,;7.31,-.36,;6.07,.58,;5.62,2.03,;4.09,2.08,;3.58,.61,;4.81,-.31,;5.28,-1.8,;4.23,-2.92,;4.67,-4.41,;3.64,-5.54,;2.13,-5.19,;1.68,-3.72,;.17,-3.37,;-.28,-1.9,;-1.79,-1.55,;.77,-.77,;2.26,-1.1,;2.71,-2.59,)| Show InChI InChI=1S/C21H17ClN4/c1-13-4-2-5-17(24-13)21-20(19-6-3-11-26(19)25-21)16-9-10-23-18-12-14(22)7-8-15(16)18/h2,4-5,7-10,12H,3,6,11H2,1H3 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM21492
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21) | PDB
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50148655
(7-Chloro-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[...)Show SMILES Clc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-1.09,-1.49,;.42,-1.79,;1.43,-.64,;2.94,-.93,;3.43,-2.4,;4.94,-2.69,;5.45,-4.15,;4.43,-5.31,;2.92,-5.01,;2.43,-3.55,;.92,-3.24,;5.96,-1.52,;5.46,-.05,;4.2,.83,;4.67,2.3,;6.2,2.3,;6.69,.85,;7.95,-.03,;7.5,-1.51,;8.48,-2.69,;7.93,-4.13,;8.9,-5.32,;10.43,-5.06,;10.98,-3.62,;10,-2.45,)| Show InChI InChI=1S/C20H15ClN4/c21-13-6-7-14-15(8-10-23-17(14)12-13)19-18-5-3-11-25(18)24-20(19)16-4-1-2-9-22-16/h1-2,4,6-10,12H,3,5,11H2 | PDB
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PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301179
(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]p...)Show SMILES Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-7.41,-1.63,;-5.88,-1.79,;-4.97,-.54,;-3.45,-.7,;-2.83,-2.1,;-1.29,-2.26,;-.66,-3.66,;-1.56,-4.91,;-3.11,-4.75,;-3.73,-3.34,;-5.25,-3.18,;-.38,-1.02,;-.85,.45,;-2.11,1.34,;-1.64,2.81,;-.1,2.82,;.38,1.36,;1.64,.45,;1.16,-1.02,;2.06,-2.26,;1.43,-3.67,;2.33,-4.92,;3.87,-4.76,;4.5,-3.34,;3.59,-2.1,)| Show InChI InChI=1S/C20H17N5/c21-13-6-7-14-15(8-10-23-17(14)12-13)19-18-5-3-11-25(18)24-20(19)16-4-1-2-9-22-16/h1-2,4,6-10,12H,3,5,11,21H2 | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184883
(2-(2-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-...)Show InChI InChI=1S/C19H13FN4/c20-16-6-2-1-5-14(16)18-11-13(8-10-22-18)15-12-23-24-19(15)17-7-3-4-9-21-17/h1-12H,(H,23,24) | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301180
(2-(dimethylamino)-N-(4-(2-(pyridin-2-yl)-5,6-dihyd...)Show SMILES CN(C)CC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(7.23,2.09,;8.77,1.93,;9.67,3.18,;9.4,.52,;10.93,.37,;11.83,1.62,;11.56,-1.04,;13.1,-1.19,;14,.06,;15.53,-.11,;16.15,-1.51,;17.69,-1.67,;18.31,-3.07,;17.41,-4.32,;15.87,-4.16,;15.24,-2.75,;13.72,-2.59,;18.59,-.43,;18.12,1.04,;16.87,1.93,;17.33,3.4,;18.87,3.41,;19.36,1.95,;20.61,1.04,;20.13,-.43,;21.04,-1.67,;20.4,-3.08,;21.31,-4.33,;22.84,-4.17,;23.47,-2.75,;22.56,-1.51,)| Show InChI InChI=1S/C24H24N6O/c1-29(2)15-22(31)27-16-8-9-17-18(10-12-26-20(17)14-16)23-21-7-5-13-30(21)28-24(23)19-6-3-4-11-25-19/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,27,31) | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184487
(4-(3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-p...)Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C26H30N6O/c1-19-5-2-6-22(28-19)26-25(23-7-3-12-32(23)29-26)20-8-9-21-24(17-20)31(18-27-21)11-4-10-30-13-15-33-16-14-30/h2,5-6,8-9,17-18H,3-4,7,10-16H2,1H3 | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50148656
(4-(2-(6-ethylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[...)Show SMILES CCc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(11.57,-4.8,;10.62,-3.57,;9.1,-3.78,;8.5,-5.22,;6.98,-5.41,;6.04,-4.19,;6.64,-2.75,;8.16,-2.56,;5.7,-1.54,;6.15,-.05,;4.87,.79,;4.36,2.23,;2.84,2.2,;2.4,.74,;3.65,-.12,;4.15,-1.57,;3.22,-2.8,;3.82,-4.22,;2.89,-5.46,;1.36,-5.25,;.77,-3.83,;-.76,-3.64,;-1.37,-2.22,;-.42,-.99,;1.1,-1.19,;1.7,-2.61,)| Show InChI InChI=1S/C22H20N4/c1-2-15-7-5-10-19(24-15)22-21(20-11-6-14-26(20)25-22)17-12-13-23-18-9-4-3-8-16(17)18/h3-5,7-10,12-13H,2,6,11,14H2,1H3 | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301181
(3-((4-(3a,4-dihydrobenzo[d][1,3]dioxol-5-yl)-5-(6-...)Show SMILES CCc1cccc(n1)-c1nc(CNc2cccc(c2)C#N)[nH]c1C1=CC=C2OCOC2C1 |t:26,28| Show InChI InChI=1S/C25H23N5O2/c1-2-18-6-4-8-20(28-18)25-24(17-9-10-21-22(12-17)32-15-31-21)29-23(30-25)14-27-19-7-3-5-16(11-19)13-26/h3-11,22,27H,2,12,14-15H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301182
(4-((5-(6-methylpyridin-2-yl)-4-(1,4,4a,8a-tetrahyd...)Show SMILES Cc1cccc(n1)-c1nc(CNc2ccc(cc2)C(N)=O)[nH]c1C1=CC2N=CCNC2C=C1 |c:29,35,t:26| Show InChI InChI=1S/C25H25N7O/c1-15-3-2-4-20(30-15)24-23(17-7-10-19-21(13-17)28-12-11-27-19)31-22(32-24)14-29-18-8-5-16(6-9-18)25(26)33/h2-10,12-13,19,21,27,29H,11,14H2,1H3,(H2,26,33)(H,31,32) | PDB
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| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50148661
(4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo...)Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccccc12 |(10.94,-4.02,;9.4,-4.18,;8.78,-5.62,;7.25,-5.76,;6.34,-4.52,;6.97,-3.11,;8.49,-2.94,;6.06,-1.86,;6.53,-.4,;5.29,.49,;4.81,1.95,;3.29,1.95,;2.8,.5,;4.04,-.4,;4.5,-1.86,;3.55,-3.06,;4.11,-4.5,;3.15,-5.71,;1.63,-5.48,;1.07,-4.04,;-.46,-3.81,;-1.02,-2.36,;-.06,-1.16,;1.45,-1.4,;2.03,-2.83,)| Show InChI InChI=1S/C21H18N4/c1-14-6-4-9-18(23-14)21-20(19-10-5-13-25(19)24-21)16-11-12-22-17-8-3-2-7-15(16)17/h2-4,6-9,11-12H,5,10,13H2,1H3 | PDB
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| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301183
(2-hydroxyethyl 4-(2-(pyridin-2-yl)-5,6-dihydro-4H-...)Show SMILES OCCOC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(27.2,-11.96,;27.83,-13.37,;29.37,-13.52,;30,-14.93,;31.53,-15.09,;32.44,-13.84,;32.17,-16.49,;33.7,-16.65,;34.6,-15.4,;36.13,-15.56,;36.75,-16.96,;38.29,-17.12,;38.91,-18.53,;38.01,-19.77,;36.47,-19.61,;35.85,-18.2,;34.33,-18.04,;39.19,-15.88,;38.72,-14.42,;37.47,-13.52,;37.93,-12.06,;39.47,-12.04,;39.96,-13.5,;41.22,-14.42,;40.74,-15.88,;41.64,-17.13,;41.01,-18.54,;41.91,-19.78,;43.44,-19.62,;44.07,-18.21,;43.16,-16.97,)| Show InChI InChI=1S/C23H21N5O3/c29-12-13-31-23(30)26-15-6-7-16-17(8-10-25-19(16)14-15)21-20-5-3-11-28(20)27-22(21)18-4-1-2-9-24-18/h1-2,4,6-10,14,29H,3,5,11-13H2,(H,26,30) | PDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184898
(2-(4-(2-cyclohexylethoxy)phenyl)-4-(3-(pyridin-2-y...)Show SMILES C(CC1CCCCC1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C27H28N4O/c1-2-6-20(7-3-1)14-17-32-23-11-9-21(10-12-23)26-18-22(13-16-29-26)24-19-30-31-27(24)25-8-4-5-15-28-25/h4-5,8-13,15-16,18-20H,1-3,6-7,14,17H2,(H,30,31) | PDB
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| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50301184
(CHEMBL565815 | N-(4-(2-(pyridin-2-yl)-5,6-dihydro-...)Show SMILES CC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(12.55,-29.52,;14.09,-29.68,;14.99,-28.43,;14.72,-31.09,;16.25,-31.24,;17.15,-29.99,;18.68,-30.15,;19.3,-31.55,;20.84,-31.72,;21.47,-33.12,;20.57,-34.37,;19.02,-34.21,;18.4,-32.79,;16.88,-32.64,;21.75,-30.48,;21.28,-29.01,;20.02,-28.12,;20.48,-26.65,;22.02,-26.63,;22.51,-28.09,;23.77,-29.01,;23.29,-30.48,;24.19,-31.72,;23.56,-33.13,;24.46,-34.38,;26,-34.22,;26.63,-32.8,;25.72,-31.56,)| Show InChI InChI=1S/C22H19N5O/c1-14(28)25-15-7-8-16-17(9-11-24-19(16)13-15)21-20-6-4-12-27(20)26-22(21)18-5-2-3-10-23-18/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,25,28) | PDB
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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50148657
(7-Ethoxy-4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-...)Show SMILES CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1cccc(C)n1 |(-1.9,-4.25,;-2.4,-2.8,;-1.4,-1.64,;.1,-1.92,;1.12,-.75,;2.62,-1.05,;3.13,-2.5,;4.64,-2.8,;5.15,-4.25,;4.13,-5.41,;2.63,-5.13,;2.13,-3.67,;.61,-3.39,;5.65,-1.63,;5.15,-.17,;3.88,.71,;4.34,2.21,;5.87,2.21,;6.37,.76,;7.63,-.12,;7.18,-1.59,;8.18,-2.78,;7.64,-4.22,;8.62,-5.4,;10.14,-5.15,;10.68,-3.7,;12.19,-3.45,;9.7,-2.52,)| Show InChI InChI=1S/C23H22N4O/c1-3-28-16-9-10-17-18(11-12-24-20(17)14-16)22-21-8-5-13-27(21)26-23(22)19-7-4-6-15(2)25-19/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3 | PDB
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| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50132980
(4-(3-(5-fluoropyridin-2-yl)-1H-pyrazol-4-yl)quinol...)Show InChI InChI=1S/C17H11FN4/c18-11-5-6-16(20-9-11)17-14(10-21-22-17)12-7-8-19-15-4-2-1-3-13(12)15/h1-10H,(H,21,22) | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184884
(CHEMBL205151 | N-(2-methoxyethyl)-4-(4-(3-(pyridin...)Show SMILES COCCNC(=O)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C23H21N5O2/c1-30-13-12-26-23(29)17-7-5-16(6-8-17)21-14-18(9-11-25-21)19-15-27-28-22(19)20-4-2-3-10-24-20/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28) | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of TGFR1 |
Eur J Med Chem 44: 4259-65 (2009)
Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9 |
More data for this
Ligand-Target Pair | |
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