Found 109 hits of Enzyme Inhibition Constant Data 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)) | BDBM50329791
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H33N5O4S/c1-5-30-28(35)21-11-16-24-25(19-21)32-29(36)26(24)27(20-9-7-6-8-10-20)31-22-12-14-23(15-13-22)34(39(4,37)38)18-17-33(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,30,35)(H,32,36) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329793
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H33N5O3/c1-5-31-29(37)22-11-16-25-26(19-22)33-30(38)27(25)28(21-9-7-6-8-10-21)32-23-12-14-24(15-13-23)35(20(2)36)18-17-34(3)4/h6-16,19,27H,5,17-18H2,1-4H3,(H,31,37)(H,33,38) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329795
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-5-32-30(38)23-12-17-26-27(20-23)34-31(39)28(26)29(22-10-7-6-8-11-22)33-24-13-15-25(16-14-24)36(21(2)37)19-9-18-35(3)4/h6-8,10-17,20,28H,5,9,18-19H2,1-4H3,(H,32,38)(H,34,39) | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329792
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H35N5O4S/c1-6-34(4)30(37)22-12-17-25-26(20-22)32-29(36)27(25)28(21-10-8-7-9-11-21)31-23-13-15-24(16-14-23)35(40(5,38)39)19-18-33(2)3/h7-17,20,27H,6,18-19H2,1-5H3,(H,32,36) | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329798
((Z)-N-ethyl-N-methyl-3-((4-(N-methyl-2-(4-methylpi...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C33H38N6O3/c1-5-37(3)33(42)24-11-16-27-28(21-24)35-32(41)30(27)31(23-9-7-6-8-10-23)34-25-12-14-26(15-13-25)38(4)29(40)22-39-19-17-36(2)18-20-39/h6-16,21,30H,5,17-20,22H2,1-4H3,(H,35,41) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329794
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H35N5O3/c1-6-35(5)31(39)23-12-17-26-27(20-23)33-30(38)28(26)29(22-10-8-7-9-11-22)32-24-13-15-25(16-14-24)36(21(2)37)19-18-34(3)4/h7-17,20,28H,6,18-19H2,1-5H3,(H,33,38) | PDB
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PC cid
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329797
((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C32H36N6O3/c1-4-33-31(40)23-10-15-26-27(20-23)35-32(41)29(26)30(22-8-6-5-7-9-22)34-24-11-13-25(14-12-24)37(3)28(39)21-38-18-16-36(2)17-19-38/h5-15,20,29H,4,16-19,21H2,1-3H3,(H,33,40)(H,35,41) | PDB
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PC cid
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329796
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C32H37N5O3/c1-6-36(5)32(40)24-13-18-27-28(21-24)34-31(39)29(27)30(23-11-8-7-9-12-23)33-25-14-16-26(17-15-25)37(22(2)38)20-10-19-35(3)4/h7-9,11-18,21,29H,6,10,19-20H2,1-5H3,(H,34,39) | PDB
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PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329814
((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C26H32N6O3/c1-4-27-25(34)18-5-10-21-22(26(35)29-23(21)15-18)16-28-19-6-8-20(9-7-19)31(3)24(33)17-32-13-11-30(2)12-14-32/h5-10,15-16,22H,4,11-14,17H2,1-3H3,(H,27,34)(H,29,35) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329813
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C25H31N5O3/c1-5-26-24(32)18-7-12-21-22(25(33)28-23(21)15-18)16-27-19-8-10-20(11-9-19)30(17(2)31)14-6-13-29(3)4/h7-12,15-16,22H,5-6,13-14H2,1-4H3,(H,26,32)(H,28,33) | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329799
((Z)-3-((4-((dimethylamino)methyl)phenylamino)(phen...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C27H28N4O2/c1-4-28-26(32)20-12-15-22-23(16-20)30-27(33)24(22)25(19-8-6-5-7-9-19)29-21-13-10-18(11-14-21)17-31(2)3/h5-16,24H,4,17H2,1-3H3,(H,28,32)(H,30,33) | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329784
((Z)-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,2,4,7-8,17-18,20H2,1H3,(H,31,35)(H,33,36) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329801
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H33N5O3/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(5)26(36)19-33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37) | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279165
(CHEMBL1203982 | CHEMBL497724)Show SMILES CNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C29H30N4O2/c1-30-28(34)22-12-15-24-25(18-22)32-29(35)26(24)27(21-8-4-2-5-9-21)31-23-13-10-20(11-14-23)19-33-16-6-3-7-17-33/h2,4-5,8-15,18,26H,3,6-7,16-17,19H2,1H3,(H,30,34)(H,32,35) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329802
((Z)-N-ethyl-3-((4-((ethylamino)methyl)phenylamino)...)Show SMILES CCNCc1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:10.10| Show InChI InChI=1S/C28H30N4O2/c1-4-29-18-19-11-14-22(15-12-19)30-26(20-9-7-6-8-10-20)25-23-16-13-21(28(34)32(3)5-2)17-24(23)31-27(25)33/h6-17,25,29H,4-5,18H2,1-3H3,(H,31,33) | PDB
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329803
((Z)-3-((4-(2-(diethylamino)ethylcarbamoyl)phenylam...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)NCCN(CC)CC)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-4-32-30(38)23-14-17-25-26(20-23)35-31(39)27(25)28(21-10-8-7-9-11-21)34-24-15-12-22(13-16-24)29(37)33-18-19-36(5-2)6-3/h7-17,20,27H,4-6,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,35,39) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279164
((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36) | PDB
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PC cid
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PDB
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Similars
| PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329800
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H31N5O3/c1-5-30-28(36)20-11-16-23-24(17-20)32-29(37)26(23)27(19-9-7-6-8-10-19)31-21-12-14-22(15-13-21)34(4)25(35)18-33(2)3/h6-17,26H,5,18H2,1-4H3,(H,30,36)(H,32,37) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279163
(CHEMBL1203981 | CHEMBL496861)Show SMILES CN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,4,7-8,17-18,20H2,1-2H3,(H,32,35) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329805
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C28H30N4O2/c1-4-29-27(33)21-12-15-23-24(18-21)31-28(34)25(23)26(20-8-6-5-7-9-20)30-22-13-10-19(11-14-22)16-17-32(2)3/h5-15,18,25H,4,16-17H2,1-3H3,(H,29,33)(H,31,34) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329816
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN(C)C)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C23H27N5O3/c1-5-24-22(30)15-6-11-18-19(23(31)26-20(18)12-15)13-25-16-7-9-17(10-8-16)28(4)21(29)14-27(2)3/h6-13,19H,5,14H2,1-4H3,(H,24,30)(H,26,31) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329795
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-5-32-30(38)23-12-17-26-27(20-23)34-31(39)28(26)29(22-10-7-6-8-11-22)33-24-13-15-25(16-14-24)36(21(2)37)19-9-18-35(3)4/h6-8,10-17,20,28H,5,9,18-19H2,1-4H3,(H,32,38)(H,34,39) | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329804
((Z)-3-((4-(2-(diethylamino)ethylcarbamoyl)phenylam...)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:16.16| Show InChI InChI=1S/C32H37N5O3/c1-5-36(4)32(40)24-15-18-26-27(21-24)35-31(39)28(26)29(22-11-9-8-10-12-22)34-25-16-13-23(14-17-25)30(38)33-19-20-37(6-2)7-3/h8-18,21,28H,5-7,19-20H2,1-4H3,(H,33,38)(H,35,39) | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329806
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C29H32N4O2/c1-5-33(4)29(35)22-13-16-24-25(19-22)31-28(34)26(24)27(21-9-7-6-8-10-21)30-23-14-11-20(12-15-23)17-18-32(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,31,34) | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329815
((Z)-N-ethyl-2-oxo-3-((4-(piperidin-1-ylmethyl)phen...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(CN4CCCCC4)cc3)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22(20)14-18)15-26-19-9-6-17(7-10-19)16-28-12-4-3-5-13-28/h6-11,14-15,21H,2-5,12-13,16H2,1H3,(H,25,29)(H,27,30) | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329791
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H33N5O4S/c1-5-30-28(35)21-11-16-24-25(19-21)32-29(36)26(24)27(20-9-7-6-8-10-20)31-22-12-14-23(15-13-22)34(39(4,37)38)18-17-33(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,30,35)(H,32,36) | PDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329807
((Z)-3-((4-(N-(2-(dimethylamino)-2-oxoethyl)methyls...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CC(=O)N(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H33N5O5S/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(41(5,39)40)19-26(36)33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37) | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329785
((Z)-N-butyl-2-oxo-3-(phenyl(4-(piperidin-1-ylmethy...)Show SMILES CCCCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:13.13| Show InChI InChI=1S/C32H36N4O2/c1-2-3-18-33-31(37)25-14-17-27-28(21-25)35-32(38)29(27)30(24-10-6-4-7-11-24)34-26-15-12-23(13-16-26)22-36-19-8-5-9-20-36/h4,6-7,10-17,21,29H,2-3,5,8-9,18-20,22H2,1H3,(H,33,37)(H,35,38) | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329799
((Z)-3-((4-((dimethylamino)methyl)phenylamino)(phen...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C27H28N4O2/c1-4-28-26(32)20-12-15-22-23(16-20)30-27(33)24(22)25(19-8-6-5-7-9-19)29-21-13-10-18(11-14-21)17-31(2)3/h5-16,24H,4,17H2,1-3H3,(H,28,32)(H,30,33) | PDB
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| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329797
((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C32H36N6O3/c1-4-33-31(40)23-10-15-26-27(20-23)35-32(41)29(26)30(22-8-6-5-7-9-22)34-24-11-13-25(14-12-24)37(3)28(39)21-38-18-16-36(2)17-19-38/h5-15,20,29H,4,16-19,21H2,1-3H3,(H,33,40)(H,35,41) | PDB
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| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50110208
(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) | PDB
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| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329793
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H33N5O3/c1-5-31-29(37)22-11-16-25-26(19-22)33-30(38)27(25)28(21-9-7-6-8-10-21)32-23-12-14-24(15-13-23)35(20(2)36)18-17-34(3)4/h6-16,19,27H,5,17-18H2,1-4H3,(H,31,37)(H,33,38) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329800
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H31N5O3/c1-5-30-28(36)20-11-16-23-24(17-20)32-29(37)26(23)27(19-9-7-6-8-10-19)31-21-12-14-22(15-13-21)34(4)25(35)18-33(2)3/h6-17,26H,5,18H2,1-4H3,(H,30,36)(H,32,37) | PDB
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| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329792
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H35N5O4S/c1-6-34(4)30(37)22-12-17-25-26(20-22)32-29(36)27(25)28(21-10-8-7-9-11-21)31-23-13-15-24(16-14-23)35(40(5,38)39)19-18-33(2)3/h7-17,20,27H,6,18-19H2,1-5H3,(H,32,36) | PDB
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329794
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H35N5O3/c1-6-35(5)31(39)23-12-17-26-27(20-23)33-30(38)28(26)29(22-10-8-7-9-11-22)32-24-13-15-25(16-14-24)36(21(2)37)19-18-34(3)4/h7-17,20,28H,6,18-19H2,1-5H3,(H,33,38) | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329796
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C32H37N5O3/c1-6-36(5)32(40)24-13-18-27-28(21-24)34-31(39)29(27)30(23-11-8-7-9-12-23)33-25-14-16-26(17-15-25)37(22(2)38)20-10-19-35(3)4/h7-9,11-18,21,29H,6,10,19-20H2,1-5H3,(H,34,39) | PDB
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| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329790
((Z)-N,N-dimethyl-2-oxo-3-(phenyl(4-(piperidin-1-yl...)Show SMILES CN(C)C(=O)c1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 |w:14.14| Show InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-26-25(19-23)27(29(35)32-26)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,4,7-8,17-18,20H2,1-2H3,(H,32,35) | PDB
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| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329808
((Z)-N-ethyl-N-methyl-3-((4-(N-methylmethylsulfonam...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C27H28N4O4S/c1-5-30(2)27(33)19-11-16-22-23(17-19)29-26(32)24(22)25(18-9-7-6-8-10-18)28-20-12-14-21(15-13-20)31(3)36(4,34)35/h6-17,24H,5H2,1-4H3,(H,29,32) | PDB
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| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329786
((Z)-3-(phenyl(4-(piperidin-1-ylmethyl)phenylamino)...)Show SMILES O=C(C1CCCN1)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:13.14| Show InChI InChI=1S/C32H34N4O2/c37-31(27-10-7-17-33-27)24-13-16-26-28(20-24)35-32(38)29(26)30(23-8-3-1-4-9-23)34-25-14-11-22(12-15-25)21-36-18-5-2-6-19-36/h1,3-4,8-9,11-16,20,27,29,33H,2,5-7,10,17-19,21H2,(H,35,38) | PDB
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| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329804
((Z)-3-((4-(2-(diethylamino)ethylcarbamoyl)phenylam...)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:16.16| Show InChI InChI=1S/C32H37N5O3/c1-5-36(4)32(40)24-15-18-26-27(21-24)35-31(39)28(26)29(22-11-9-8-10-12-22)34-25-16-13-23(14-17-25)30(38)33-19-20-37(6-2)7-3/h8-18,21,28H,5-7,19-20H2,1-4H3,(H,33,38)(H,35,39) | PDB
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| n/a | n/a | 317 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279162
((Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenyl...)Show SMILES CC(C)NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-21(2)32-30(36)24-13-16-26-27(19-24)34-31(37)28(26)29(23-9-5-3-6-10-23)33-25-14-11-22(12-15-25)20-35-17-7-4-8-18-35/h3,5-6,9-16,19,21,28H,4,7-8,17-18,20H2,1-2H3,(H,32,36)(H,34,37) | PDB
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| n/a | n/a | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329803
((Z)-3-((4-(2-(diethylamino)ethylcarbamoyl)phenylam...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)NCCN(CC)CC)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-4-32-30(38)23-14-17-25-26(20-23)35-31(39)27(25)28(21-10-8-7-9-11-21)34-24-15-12-22(13-16-24)29(37)33-18-19-36(5-2)6-3/h7-17,20,27H,4-6,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,35,39) | PDB
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| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329801
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H33N5O3/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(5)26(36)19-33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37) | PDB
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| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329805
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C28H30N4O2/c1-4-29-27(33)21-12-15-23-24(18-21)31-28(34)25(23)26(20-8-6-5-7-9-20)30-22-13-10-19(11-14-22)16-17-32(2)3/h5-15,18,25H,4,16-17H2,1-3H3,(H,29,33)(H,31,34) | PDB
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| n/a | n/a | 368 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279044
((Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenyl...)Show SMILES NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9| Show InChI InChI=1S/C28H28N4O2/c29-27(33)21-11-14-23-24(17-21)31-28(34)25(23)26(20-7-3-1-4-8-20)30-22-12-9-19(10-13-22)18-32-15-5-2-6-16-32/h1,3-4,7-14,17,25H,2,5-6,15-16,18H2,(H2,29,33)(H,31,34) | PDB
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| n/a | n/a | 369 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329807
((Z)-3-((4-(N-(2-(dimethylamino)-2-oxoethyl)methyls...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CC(=O)N(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H33N5O5S/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(41(5,39)40)19-26(36)33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37) | PDB
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| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329806
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C29H32N4O2/c1-5-33(4)29(35)22-13-16-24-25(19-22)31-28(34)26(24)27(21-9-7-6-8-10-21)30-23-14-11-20(12-15-23)17-18-32(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,31,34) | PDB
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| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329787
((Z)-N-(2-hydroxyethyl)-2-oxo-3-(phenyl(4-(piperidi...)Show SMILES OCCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H32N4O3/c35-18-15-31-29(36)23-11-14-25-26(19-23)33-30(37)27(25)28(22-7-3-1-4-8-22)32-24-12-9-21(10-13-24)20-34-16-5-2-6-17-34/h1,3-4,7-14,19,27,35H,2,5-6,15-18,20H2,(H,31,36)(H,33,37) | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329813
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C25H31N5O3/c1-5-26-24(32)18-7-12-21-22(25(33)28-23(21)15-18)16-27-19-8-10-20(11-9-19)30(17(2)31)14-6-13-29(3)4/h7-12,15-16,22H,5-6,13-14H2,1-4H3,(H,26,32)(H,28,33) | PDB
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| n/a | n/a | 484 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329810
((Z)-4-((6-(ethyl(methyl)carbamoyl)-2-oxoindolin-3-...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)C(O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C26H23N3O4/c1-3-29(2)25(31)18-11-14-20-21(15-18)28-24(30)22(20)23(16-7-5-4-6-8-16)27-19-12-9-17(10-13-19)26(32)33/h4-15,22H,3H2,1-2H3,(H,28,30)(H,32,33) | PDB
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| n/a | n/a | 564 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329809
((Z)-3-((3-((diethylamino)methyl)phenylamino)(pheny...)Show SMILES CCN(CC)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:12.12| Show InChI InChI=1S/C30H34N4O2/c1-5-33(4)30(36)23-16-17-25-26(19-23)32-29(35)27(25)28(22-13-9-8-10-14-22)31-24-15-11-12-21(18-24)20-34(6-2)7-3/h8-19,27H,5-7,20H2,1-4H3,(H,32,35) | PDB
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| n/a | n/a | 616 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329788
((Z)-N,N-diethyl-2-oxo-3-(phenyl(4-(piperidin-1-ylm...)Show SMILES CCN(CC)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:13.13| Show InChI InChI=1S/C32H36N4O2/c1-3-36(4-2)32(38)25-15-18-27-28(21-25)34-31(37)29(27)30(24-11-7-5-8-12-24)33-26-16-13-23(14-17-26)22-35-19-9-6-10-20-35/h5,7-8,11-18,21,29H,3-4,6,9-10,19-20,22H2,1-2H3,(H,34,37) | PDB
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| n/a | n/a | 625 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329808
((Z)-N-ethyl-N-methyl-3-((4-(N-methylmethylsulfonam...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C27H28N4O4S/c1-5-30(2)27(33)19-11-16-22-23(17-19)29-26(32)24(22)25(18-9-7-6-8-10-18)28-20-12-14-21(15-13-20)31(3)36(4,34)35/h6-17,24H,5H2,1-4H3,(H,29,32) | PDB
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| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329810
((Z)-4-((6-(ethyl(methyl)carbamoyl)-2-oxoindolin-3-...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)C(O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C26H23N3O4/c1-3-29(2)25(31)18-11-14-20-21(15-18)28-24(30)22(20)23(16-7-5-4-6-8-16)27-19-12-9-17(10-13-19)26(32)33/h4-15,22H,3H2,1-2H3,(H,28,30)(H,32,33) | PDB
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| n/a | n/a | 782 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329784
((Z)-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,2,4,7-8,17-18,20H2,1H3,(H,31,35)(H,33,36) | PDB
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| n/a | n/a | 789 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50279164
((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36) | PDB
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| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329802
((Z)-N-ethyl-3-((4-((ethylamino)methyl)phenylamino)...)Show SMILES CCNCc1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:10.10| Show InChI InChI=1S/C28H30N4O2/c1-4-29-18-19-11-14-22(15-12-19)30-26(20-9-7-6-8-10-20)25-23-16-13-21(28(34)32(3)5-2)17-24(23)31-27(25)33/h6-17,25,29H,4-5,18H2,1-3H3,(H,31,33) | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329811
((Z)-methyl 4-((6-(ethyl(methyl)carbamoyl)-2-oxoind...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)OC)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C27H25N3O4/c1-4-30(2)26(32)19-12-15-21-22(16-19)29-25(31)23(21)24(17-8-6-5-7-9-17)28-20-13-10-18(11-14-20)27(33)34-3/h5-16,23H,4H2,1-3H3,(H,29,31) | PDB
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| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329815
((Z)-N-ethyl-2-oxo-3-((4-(piperidin-1-ylmethyl)phen...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(CN4CCCCC4)cc3)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22(20)14-18)15-26-19-9-6-17(7-10-19)16-28-12-4-3-5-13-28/h6-11,14-15,21H,2-5,12-13,16H2,1H3,(H,25,29)(H,27,30) | PDB
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| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329789
((Z)-N-benzyl-2-oxo-3-(phenyl(4-(piperidin-1-ylmeth...)Show SMILES O=C(NCc1ccccc1)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:16.17| Show InChI InChI=1S/C35H34N4O2/c40-34(36-23-25-10-4-1-5-11-25)28-16-19-30-31(22-28)38-35(41)32(30)33(27-12-6-2-7-13-27)37-29-17-14-26(15-18-29)24-39-20-8-3-9-21-39/h1-2,4-7,10-19,22,32H,3,8-9,20-21,23-24H2,(H,36,40)(H,38,41) | PDB
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| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329809
((Z)-3-((3-((diethylamino)methyl)phenylamino)(pheny...)Show SMILES CCN(CC)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:12.12| Show InChI InChI=1S/C30H34N4O2/c1-5-33(4)30(36)23-16-17-25-26(19-23)32-29(35)27(25)28(22-13-9-8-10-14-22)31-24-15-11-12-21(18-24)20-34(6-2)7-3/h8-19,27H,5-7,20H2,1-4H3,(H,32,35) | PDB
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| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329811
((Z)-methyl 4-((6-(ethyl(methyl)carbamoyl)-2-oxoind...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)OC)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C27H25N3O4/c1-4-30(2)26(32)19-12-15-21-22(16-19)29-25(31)23(21)24(17-8-6-5-7-9-17)28-20-13-10-18(11-14-20)27(33)34-3/h5-16,23H,4H2,1-3H3,(H,29,31) | PDB
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| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329798
((Z)-N-ethyl-N-methyl-3-((4-(N-methyl-2-(4-methylpi...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C33H38N6O3/c1-5-37(3)33(42)24-11-16-27-28(21-24)35-32(41)30(27)31(23-9-7-6-8-10-23)34-25-12-14-26(15-13-25)38(4)29(40)22-39-19-17-36(2)18-20-39/h6-16,21,30H,5,17-20,22H2,1-4H3,(H,35,41) | PDB
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| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329812
((Z)-N-ethyl-N-methyl-2-oxo-3-(phenyl(phenylamino)m...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccccc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H23N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4-16,22H,3H2,1-2H3,(H,27,29) | PDB
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| n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329816
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN(C)C)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C23H27N5O3/c1-5-24-22(30)15-6-11-18-19(23(31)26-20(18)12-15)13-25-16-7-9-17(10-8-16)28(4)21(29)14-27(2)3/h6-13,19H,5,14H2,1-4H3,(H,24,30)(H,26,31) | PDB
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| n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279121
((Z)-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)...)Show SMILES O=C1Nc2ccccc2C1C(=Nc1ccc(CN2CCCCC2)cc1)c1ccccc1 |w:11.13| Show InChI InChI=1S/C27H27N3O/c31-27-25(23-11-5-6-12-24(23)29-27)26(21-9-3-1-4-10-21)28-22-15-13-20(14-16-22)19-30-17-7-2-8-18-30/h1,3-6,9-16,25H,2,7-8,17-19H2,(H,29,31) | PDB
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| n/a | n/a | 3.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50279164
((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36) | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of ALK1 |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329817
((Z)-N-ethyl-N-methyl-3-((1-methylpiperidin-4-ylami...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=NC3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H30N4O2/c1-4-29(3)25(31)18-10-11-20-21(16-18)27-24(30)22(20)23(17-8-6-5-7-9-17)26-19-12-14-28(2)15-13-19/h5-11,16,19,22H,4,12-15H2,1-3H3,(H,27,30) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329814
((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C26H32N6O3/c1-4-27-25(34)18-5-10-21-22(26(35)29-23(21)15-18)16-28-19-6-8-20(9-7-19)31(3)24(33)17-32-13-11-30(2)12-14-32/h5-10,15-16,22H,4,11-14,17H2,1-3H3,(H,27,34)(H,29,35) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329812
((Z)-N-ethyl-N-methyl-2-oxo-3-(phenyl(phenylamino)m...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccccc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H23N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4-16,22H,3H2,1-2H3,(H,27,29) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50329818
((Z)-3-((cyclohexylamino)(phenyl)methylene)-N-ethyl...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=NC3CCCCC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H29N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4,6-7,10-11,14-16,19,22H,3,5,8-9,12-13H2,1-2H3,(H,27,29) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRalpha |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-2
(Homo sapiens (Human)) | BDBM50279164
((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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PDB
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| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta2 receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329818
((Z)-3-((cyclohexylamino)(phenyl)methylene)-N-ethyl...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=NC3CCCCC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H29N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4,6-7,10-11,14-16,19,22H,3,5,8-9,12-13H2,1-2H3,(H,27,29) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein receptor type-2
(Homo sapiens (Human)) | BDBM50279164
((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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PC sid
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| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of BMPR2 |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329817
((Z)-N-ethyl-N-methyl-3-((1-methylpiperidin-4-ylami...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=NC3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H30N4O2/c1-4-29(3)25(31)18-10-11-20-21(16-18)27-24(30)22(20)23(17-8-6-5-7-9-17)26-19-12-14-28(2)15-13-19/h5-11,16,19,22H,4,12-15H2,1-3H3,(H,27,30) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329814
((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C26H32N6O3/c1-4-27-25(34)18-5-10-21-22(26(35)29-23(21)15-18)16-28-19-6-8-20(9-7-19)31(3)24(33)17-32-13-11-30(2)12-14-32/h5-10,15-16,22H,4,11-14,17H2,1-3H3,(H,27,34)(H,29,35) | PDB
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UniChem
Similars
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| n/a | n/a | n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329794
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H35N5O3/c1-6-35(5)31(39)23-12-17-26-27(20-23)33-30(38)28(26)29(22-10-8-7-9-11-22)32-24-13-15-25(16-14-24)36(21(2)37)19-18-34(3)4/h7-17,20,28H,6,18-19H2,1-5H3,(H,33,38) | PDB
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| n/a | n/a | n/a | n/a | 102 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279044
((Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenyl...)Show SMILES NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9| Show InChI InChI=1S/C28H28N4O2/c29-27(33)21-11-14-23-24(17-21)31-28(34)25(23)26(20-7-3-1-4-8-20)30-22-12-9-19(10-13-22)18-32-15-5-2-6-16-32/h1,3-4,7-14,17,25H,2,5-6,15-16,18H2,(H2,29,33)(H,31,34) | PDB
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antibodypedia
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UniChem
Similars
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| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329805
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C28H30N4O2/c1-4-29-27(33)21-12-15-23-24(18-21)31-28(34)25(23)26(20-8-6-5-7-9-20)30-22-13-10-19(11-14-22)16-17-32(2)3/h5-15,18,25H,4,16-17H2,1-3H3,(H,29,33)(H,31,34) | PDB
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| n/a | n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329806
((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C29H32N4O2/c1-5-33(4)29(35)22-13-16-24-25(19-22)31-28(34)26(24)27(21-9-7-6-8-10-21)30-23-14-11-20(12-15-23)17-18-32(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,31,34) | PDB
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| n/a | n/a | n/a | n/a | 259 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329813
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C25H31N5O3/c1-5-26-24(32)18-7-12-21-22(25(33)28-23(21)15-18)16-27-19-8-10-20(11-9-19)30(17(2)31)14-6-13-29(3)4/h7-12,15-16,22H,5-6,13-14H2,1-4H3,(H,26,32)(H,28,33) | PDB
MMDB
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antibodypedia
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 597 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329818
((Z)-3-((cyclohexylamino)(phenyl)methylene)-N-ethyl...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=NC3CCCCC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H29N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4,6-7,10-11,14-16,19,22H,3,5,8-9,12-13H2,1-2H3,(H,27,29) | PDB
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Similars
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329815
((Z)-N-ethyl-2-oxo-3-((4-(piperidin-1-ylmethyl)phen...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(CN4CCCCC4)cc3)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22(20)14-18)15-26-19-9-6-17(7-10-19)16-28-12-4-3-5-13-28/h6-11,14-15,21H,2-5,12-13,16H2,1H3,(H,25,29)(H,27,30) | PDB
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PubMed
| n/a | n/a | n/a | n/a | 376 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329795
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-5-32-30(38)23-12-17-26-27(20-23)34-31(39)28(26)29(22-10-7-6-8-11-22)33-24-13-15-25(16-14-24)36(21(2)37)19-9-18-35(3)4/h6-8,10-17,20,28H,5,9,18-19H2,1-4H3,(H,32,38)(H,34,39) | PDB
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| n/a | n/a | n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329790
((Z)-N,N-dimethyl-2-oxo-3-(phenyl(4-(piperidin-1-yl...)Show SMILES CN(C)C(=O)c1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 |w:14.14| Show InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-26-25(19-23)27(29(35)32-26)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,4,7-8,17-18,20H2,1-2H3,(H,32,35) | PDB
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PubMed
| n/a | n/a | n/a | n/a | 198 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50110208
(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) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 172 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329791
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H33N5O4S/c1-5-30-28(35)21-11-16-24-25(19-21)32-29(36)26(24)27(20-9-7-6-8-10-20)31-22-12-14-23(15-13-22)34(39(4,37)38)18-17-33(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,30,35)(H,32,36) | PDB
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 108 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329799
((Z)-3-((4-((dimethylamino)methyl)phenylamino)(phen...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C27H28N4O2/c1-4-28-26(32)20-12-15-22-23(16-20)30-27(33)24(22)25(19-8-6-5-7-9-19)29-21-13-10-18(11-14-21)17-31(2)3/h5-16,24H,4,17H2,1-3H3,(H,28,32)(H,30,33) | PDB
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| n/a | n/a | n/a | n/a | 185 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329797
((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C32H36N6O3/c1-4-33-31(40)23-10-15-26-27(20-23)35-32(41)29(26)30(22-8-6-5-7-9-22)34-24-11-13-25(14-12-24)37(3)28(39)21-38-18-16-36(2)17-19-38/h5-15,20,29H,4,16-19,21H2,1-3H3,(H,33,40)(H,35,41) | PDB
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| n/a | n/a | n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329786
((Z)-3-(phenyl(4-(piperidin-1-ylmethyl)phenylamino)...)Show SMILES O=C(C1CCCN1)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:13.14| Show InChI InChI=1S/C32H34N4O2/c37-31(27-10-7-17-33-27)24-13-16-26-28(20-24)35-32(38)29(26)30(23-8-3-1-4-9-23)34-25-14-11-22(12-15-25)21-36-18-5-2-6-19-36/h1,3-4,8-9,11-16,20,27,29,33H,2,5-7,10,17-19,21H2,(H,35,38) | PDB
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| n/a | n/a | n/a | n/a | 696 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279162
((Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenyl...)Show SMILES CC(C)NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-21(2)32-30(36)24-13-16-26-27(19-24)34-31(37)28(26)29(23-9-5-3-6-10-23)33-25-14-11-22(12-15-25)20-35-17-7-4-8-18-35/h3,5-6,9-16,19,21,28H,4,7-8,17-18,20H2,1-2H3,(H,32,36)(H,34,37) | PDB
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| n/a | n/a | n/a | n/a | 708 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329801
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H33N5O3/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(5)26(36)19-33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37) | PDB
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| n/a | n/a | n/a | n/a | 382 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329817
((Z)-N-ethyl-N-methyl-3-((1-methylpiperidin-4-ylami...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=NC3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H30N4O2/c1-4-29(3)25(31)18-10-11-20-21(16-18)27-24(30)22(20)23(17-8-6-5-7-9-17)26-19-12-14-28(2)15-13-19/h5-11,16,19,22H,4,12-15H2,1-3H3,(H,27,30) | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329796
((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C32H37N5O3/c1-6-36(5)32(40)24-13-18-27-28(21-24)34-31(39)29(27)30(23-11-8-7-9-12-23)33-25-14-16-26(17-15-25)37(22(2)38)20-10-19-35(3)4/h7-9,11-18,21,29H,6,10,19-20H2,1-5H3,(H,34,39) | PDB
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| n/a | n/a | n/a | n/a | 411 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329787
((Z)-N-(2-hydroxyethyl)-2-oxo-3-(phenyl(4-(piperidi...)Show SMILES OCCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H32N4O3/c35-18-15-31-29(36)23-11-14-25-26(19-23)33-30(37)27(25)28(22-7-3-1-4-8-22)32-24-12-9-21(10-13-24)20-34-16-5-2-6-17-34/h1,3-4,7-14,19,27,35H,2,5-6,15-18,20H2,(H,31,36)(H,33,37) | PDB
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| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329792
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H35N5O4S/c1-6-34(4)30(37)22-12-17-25-26(20-22)32-29(36)27(25)28(21-10-8-7-9-11-21)31-23-13-15-24(16-14-23)35(40(5,38)39)19-18-33(2)3/h7-17,20,27H,6,18-19H2,1-5H3,(H,32,36) | PDB
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| n/a | n/a | n/a | n/a | 209 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329784
((Z)-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,2,4,7-8,17-18,20H2,1H3,(H,31,35)(H,33,36) | PDB
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| n/a | n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329804
((Z)-3-((4-(2-(diethylamino)ethylcarbamoyl)phenylam...)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:16.16| Show InChI InChI=1S/C32H37N5O3/c1-5-36(4)32(40)24-15-18-26-27(21-24)35-31(39)28(26)29(22-11-9-8-10-12-22)34-25-16-13-23(14-17-25)30(38)33-19-20-37(6-2)7-3/h8-18,21,28H,5-7,19-20H2,1-4H3,(H,33,38)(H,35,39) | PDB
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| n/a | n/a | n/a | n/a | 542 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329807
((Z)-3-((4-(N-(2-(dimethylamino)-2-oxoethyl)methyls...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CC(=O)N(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H33N5O5S/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(41(5,39)40)19-26(36)33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37) | PDB
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| n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329800
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H31N5O3/c1-5-30-28(36)20-11-16-23-24(17-20)32-29(37)26(23)27(19-9-7-6-8-10-19)31-21-12-14-22(15-13-21)34(4)25(35)18-33(2)3/h6-17,26H,5,18H2,1-4H3,(H,30,36)(H,32,37) | PDB
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| n/a | n/a | n/a | n/a | 3.38E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329803
((Z)-3-((4-(2-(diethylamino)ethylcarbamoyl)phenylam...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)NCCN(CC)CC)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-4-32-30(38)23-14-17-25-26(20-23)35-31(39)27(25)28(21-10-8-7-9-11-21)34-24-15-12-22(13-16-24)29(37)33-18-19-36(5-2)6-3/h7-17,20,27H,4-6,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,35,39) | PDB
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| n/a | n/a | n/a | n/a | 505 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329808
((Z)-N-ethyl-N-methyl-3-((4-(N-methylmethylsulfonam...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C27H28N4O4S/c1-5-30(2)27(33)19-11-16-22-23(17-19)29-26(32)24(22)25(18-9-7-6-8-10-18)28-20-12-14-21(15-13-20)31(3)36(4,34)35/h6-17,24H,5H2,1-4H3,(H,29,32) | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329816
((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN(C)C)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C23H27N5O3/c1-5-24-22(30)15-6-11-18-19(23(31)26-20(18)12-15)13-25-16-7-9-17(10-8-16)28(4)21(29)14-27(2)3/h6-13,19H,5,14H2,1-4H3,(H,24,30)(H,26,31) | PDB
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| n/a | n/a | n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329793
((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...)Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H33N5O3/c1-5-31-29(37)22-11-16-25-26(19-22)33-30(38)27(25)28(21-9-7-6-8-10-21)32-23-12-14-24(15-13-23)35(20(2)36)18-17-34(3)4/h6-16,19,27H,5,17-18H2,1-4H3,(H,31,37)(H,33,38) | PDB
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| n/a | n/a | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279164
((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36) | PDB
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| n/a | n/a | n/a | n/a | 105 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329798
((Z)-N-ethyl-N-methyl-3-((4-(N-methyl-2-(4-methylpi...)Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C33H38N6O3/c1-5-37(3)33(42)24-11-16-27-28(21-24)35-32(41)30(27)31(23-9-7-6-8-10-23)34-25-12-14-26(15-13-25)38(4)29(40)22-39-19-17-36(2)18-20-39/h6-16,21,30H,5,17-20,22H2,1-4H3,(H,35,41) | PDB
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| n/a | n/a | n/a | n/a | 833 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50279163
(CHEMBL1203981 | CHEMBL496861)Show SMILES CN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,4,7-8,17-18,20H2,1-2H3,(H,32,35) | PDB
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PubMed
| n/a | n/a | n/a | n/a | 246 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329785
((Z)-N-butyl-2-oxo-3-(phenyl(4-(piperidin-1-ylmethy...)Show SMILES CCCCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:13.13| Show InChI InChI=1S/C32H36N4O2/c1-2-3-18-33-31(37)25-14-17-27-28(21-25)35-32(38)29(27)30(24-10-6-4-7-11-24)34-26-15-12-23(13-16-26)22-36-19-8-5-9-20-36/h4,6-7,10-17,21,29H,2-3,5,8-9,18-20,22H2,1H3,(H,33,37)(H,35,38) | PDB
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| n/a | n/a | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50329802
((Z)-N-ethyl-3-((4-((ethylamino)methyl)phenylamino)...)Show SMILES CCNCc1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:10.10| Show InChI InChI=1S/C28H30N4O2/c1-4-29-18-19-11-14-22(15-12-19)30-26(20-9-7-6-8-10-20)25-23-16-13-21(28(34)32(3)5-2)17-24(23)31-27(25)33/h6-17,25,29H,4-5,18H2,1-3H3,(H,31,33) | PDB
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| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co KG
Curated by ChEMBL
| Assay Description
Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA |
J Med Chem 53: 7287-95 (2010)
Article DOI: 10.1021/jm100812a
BindingDB Entry DOI: 10.7270/Q2F47PCW |
More data for this
Ligand-Target Pair | |
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