Found 152 hits Enz. Inhib. hit(s) with all data for entry = 50009878 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)) | BDBM50533233
(CHEMBL4447510)Show InChI InChI=1S/C18H12ClFN4/c19-11-1-2-15(20)14(9-11)17-10-16(13-5-8-22-18(13)24-17)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533233
(CHEMBL4447510)Show InChI InChI=1S/C18H12ClFN4/c19-11-1-2-15(20)14(9-11)17-10-16(13-5-8-22-18(13)24-17)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533223
(CHEMBL4470706)Show SMILES Fc1ccc(Cl)cc1-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(18.42,-12.28,;17.08,-11.52,;15.76,-12.29,;14.41,-11.52,;14.42,-9.98,;13.08,-9.2,;15.75,-9.21,;17.08,-9.98,;18.41,-9.21,;18.42,-7.67,;19.74,-6.9,;19.74,-5.36,;18.49,-4.46,;16.99,-4.78,;15.95,-3.65,;16.42,-2.17,;17.93,-1.85,;18.96,-3,;20.5,-2.99,;20.98,-4.45,;22.44,-4.93,;21.08,-7.66,;22.56,-7.18,;23.47,-8.44,;22.56,-9.69,;21.08,-9.21,;19.75,-9.98,)| Show InChI InChI=1S/C19H11ClFN5O/c20-10-1-2-13(21)12(7-10)14-8-17(11-3-6-23-18(11)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533223
(CHEMBL4470706)Show SMILES Fc1ccc(Cl)cc1-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(18.42,-12.28,;17.08,-11.52,;15.76,-12.29,;14.41,-11.52,;14.42,-9.98,;13.08,-9.2,;15.75,-9.21,;17.08,-9.98,;18.41,-9.21,;18.42,-7.67,;19.74,-6.9,;19.74,-5.36,;18.49,-4.46,;16.99,-4.78,;15.95,-3.65,;16.42,-2.17,;17.93,-1.85,;18.96,-3,;20.5,-2.99,;20.98,-4.45,;22.44,-4.93,;21.08,-7.66,;22.56,-7.18,;23.47,-8.44,;22.56,-9.69,;21.08,-9.21,;19.75,-9.98,)| Show InChI InChI=1S/C19H11ClFN5O/c20-10-1-2-13(21)12(7-10)14-8-17(11-3-6-23-18(11)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533224
(CHEMBL4474551)Show SMILES Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2cc(Cl)ccc2F)c1=O |(44.86,-2.72,;43.96,-3.97,;42.43,-3.98,;41.4,-2.83,;39.89,-3.15,;39.42,-4.63,;40.45,-5.76,;41.95,-5.44,;43.2,-6.34,;43.21,-7.88,;41.88,-8.65,;41.88,-10.19,;43.21,-10.96,;44.54,-10.19,;46.02,-10.67,;46.93,-9.42,;46.02,-8.16,;44.54,-8.64,;40.55,-10.96,;39.21,-10.19,;37.88,-10.96,;36.55,-10.18,;37.88,-12.5,;39.22,-13.27,;40.55,-12.5,;41.88,-13.26,;44.44,-5.43,;45.91,-5.91,)| Show InChI InChI=1S/C20H13ClFN5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-12(17)4-7-24-19)13-8-11(21)2-3-14(13)22/h2-10H,1H3,(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533224
(CHEMBL4474551)Show SMILES Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2cc(Cl)ccc2F)c1=O |(44.86,-2.72,;43.96,-3.97,;42.43,-3.98,;41.4,-2.83,;39.89,-3.15,;39.42,-4.63,;40.45,-5.76,;41.95,-5.44,;43.2,-6.34,;43.21,-7.88,;41.88,-8.65,;41.88,-10.19,;43.21,-10.96,;44.54,-10.19,;46.02,-10.67,;46.93,-9.42,;46.02,-8.16,;44.54,-8.64,;40.55,-10.96,;39.21,-10.19,;37.88,-10.96,;36.55,-10.18,;37.88,-12.5,;39.22,-13.27,;40.55,-12.5,;41.88,-13.26,;44.44,-5.43,;45.91,-5.91,)| Show InChI InChI=1S/C20H13ClFN5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-12(17)4-7-24-19)13-8-11(21)2-3-14(13)22/h2-10H,1H3,(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533238
(CHEMBL4470980)Show SMILES CNCCNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F Show InChI InChI=1S/C22H20F2N6O/c1-25-8-9-28-22(31)16-12-26-6-5-18(16)29-20-11-19(30-21-15(20)4-7-27-21)14-3-2-13(23)10-17(14)24/h2-7,10-12,25H,8-9H2,1H3,(H,28,31)(H2,26,27,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533236
(CHEMBL4569690)Show SMILES CCn1c2cnccc2n(-c2cc(ncc2C)-c2cc(Cl)ccc2F)c1=O |(33.49,-17.46,;31.95,-17.31,;31.05,-18.55,;29.52,-18.56,;28.49,-17.42,;26.98,-17.74,;26.51,-19.21,;27.54,-20.35,;29.04,-20.03,;30.29,-20.92,;30.3,-22.46,;28.97,-23.23,;28.97,-24.78,;30.3,-25.55,;31.63,-24.78,;31.63,-23.23,;32.97,-22.45,;27.64,-25.55,;26.3,-24.77,;24.97,-25.54,;23.64,-24.77,;24.97,-27.08,;26.31,-27.85,;27.64,-27.08,;28.97,-27.85,;31.53,-20.02,;33,-20.49,)| Show InChI InChI=1S/C20H16ClFN4O/c1-3-25-19-11-23-7-6-17(19)26(20(25)27)18-9-16(24-10-12(18)2)14-8-13(21)4-5-15(14)22/h4-11H,3H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533236
(CHEMBL4569690)Show SMILES CCn1c2cnccc2n(-c2cc(ncc2C)-c2cc(Cl)ccc2F)c1=O |(33.49,-17.46,;31.95,-17.31,;31.05,-18.55,;29.52,-18.56,;28.49,-17.42,;26.98,-17.74,;26.51,-19.21,;27.54,-20.35,;29.04,-20.03,;30.29,-20.92,;30.3,-22.46,;28.97,-23.23,;28.97,-24.78,;30.3,-25.55,;31.63,-24.78,;31.63,-23.23,;32.97,-22.45,;27.64,-25.55,;26.3,-24.77,;24.97,-25.54,;23.64,-24.77,;24.97,-27.08,;26.31,-27.85,;27.64,-27.08,;28.97,-27.85,;31.53,-20.02,;33,-20.49,)| Show InChI InChI=1S/C20H16ClFN4O/c1-3-25-19-11-23-7-6-17(19)26(20(25)27)18-9-16(24-10-12(18)2)14-8-13(21)4-5-15(14)22/h4-11H,3H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533230
(CHEMBL4555703)Show SMILES Fc1ccc(c(F)c1)-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(1.03,-11.64,;2.37,-10.86,;2.37,-9.32,;3.7,-8.56,;5.03,-9.33,;5.04,-10.86,;6.37,-11.63,;3.71,-11.64,;6.37,-8.56,;6.37,-7.02,;7.7,-6.25,;7.69,-4.71,;6.44,-3.81,;4.94,-4.13,;3.9,-2.99,;4.38,-1.52,;5.89,-1.2,;6.92,-2.34,;8.45,-2.34,;8.93,-3.8,;10.39,-4.27,;9.03,-7.01,;10.51,-6.53,;11.42,-7.78,;10.51,-9.04,;9.03,-8.56,;7.7,-9.33,)| Show InChI InChI=1S/C19H11F2N5O/c20-10-1-2-11(13(21)7-10)14-8-17(12-3-6-23-18(12)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533226
(CHEMBL4467267)Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C22H19ClFN5O2/c1-12(30)10-27-22(31)16-11-25-6-5-18(16)28-19-9-20(29-21-14(19)4-7-26-21)15-8-13(23)2-3-17(15)24/h2-9,11-12,30H,10H2,1H3,(H,27,31)(H2,25,26,28,29)/t12-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533230
(CHEMBL4555703)Show SMILES Fc1ccc(c(F)c1)-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(1.03,-11.64,;2.37,-10.86,;2.37,-9.32,;3.7,-8.56,;5.03,-9.33,;5.04,-10.86,;6.37,-11.63,;3.71,-11.64,;6.37,-8.56,;6.37,-7.02,;7.7,-6.25,;7.69,-4.71,;6.44,-3.81,;4.94,-4.13,;3.9,-2.99,;4.38,-1.52,;5.89,-1.2,;6.92,-2.34,;8.45,-2.34,;8.93,-3.8,;10.39,-4.27,;9.03,-7.01,;10.51,-6.53,;11.42,-7.78,;10.51,-9.04,;9.03,-8.56,;7.7,-9.33,)| Show InChI InChI=1S/C19H11F2N5O/c20-10-1-2-11(13(21)7-10)14-8-17(12-3-6-23-18(12)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533226
(CHEMBL4467267)Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C22H19ClFN5O2/c1-12(30)10-27-22(31)16-11-25-6-5-18(16)28-19-9-20(29-21-14(19)4-7-26-21)15-8-13(23)2-3-17(15)24/h2-9,11-12,30H,10H2,1H3,(H,27,31)(H2,25,26,28,29)/t12-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533228
(CHEMBL4452818)Show SMILES Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1 Show InChI InChI=1S/C22H17F2N5O/c23-12-1-4-14(17(24)9-12)19-10-20(15-5-8-26-21(15)29-19)28-18-6-7-25-11-16(18)22(30)27-13-2-3-13/h1,4-11,13H,2-3H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533228
(CHEMBL4452818)Show SMILES Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1 Show InChI InChI=1S/C22H17F2N5O/c23-12-1-4-14(17(24)9-12)19-10-20(15-5-8-26-21(15)29-19)28-18-6-7-25-11-16(18)22(30)27-13-2-3-13/h1,4-11,13H,2-3H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533238
(CHEMBL4470980)Show SMILES CNCCNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F Show InChI InChI=1S/C22H20F2N6O/c1-25-8-9-28-22(31)16-12-26-6-5-18(16)29-20-11-19(30-21-15(20)4-7-27-21)14-3-2-13(23)10-17(14)24/h2-7,10-12,25H,8-9H2,1H3,(H,28,31)(H2,26,27,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533239
(CHEMBL4443611)Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C22H19F2N5O2/c1-12(30)10-27-22(31)16-11-25-6-5-18(16)28-20-9-19(29-21-15(20)4-7-26-21)14-3-2-13(23)8-17(14)24/h2-9,11-12,30H,10H2,1H3,(H,27,31)(H2,25,26,28,29)/t12-/m0/s1 | PDB
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antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533239
(CHEMBL4443611)Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C22H19F2N5O2/c1-12(30)10-27-22(31)16-11-25-6-5-18(16)28-20-9-19(29-21-15(20)4-7-26-21)14-3-2-13(23)8-17(14)24/h2-9,11-12,30H,10H2,1H3,(H,27,31)(H2,25,26,28,29)/t12-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533227
(CHEMBL4483492)Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1 Show InChI InChI=1S/C22H17ClFN5O/c23-12-1-4-17(24)15(9-12)20-10-19(14-5-8-26-21(14)29-20)28-18-6-7-25-11-16(18)22(30)27-13-2-3-13/h1,4-11,13H,2-3H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
UniProtKB/SwissProt
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antibodypedia
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| PC cid
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UniChem
| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533227
(CHEMBL4483492)Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1 Show InChI InChI=1S/C22H17ClFN5O/c23-12-1-4-17(24)15(9-12)20-10-19(14-5-8-26-21(14)29-20)28-18-6-7-25-11-16(18)22(30)27-13-2-3-13/h1,4-11,13H,2-3H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
UniProtKB/SwissProt
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antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533222
(CHEMBL4513488)Show SMILES Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2ccc(F)cc2F)c1=O |(32.63,-2.61,;31.73,-3.85,;30.19,-3.86,;29.16,-2.71,;27.66,-3.04,;27.18,-4.51,;28.22,-5.65,;29.72,-5.33,;30.97,-6.22,;30.97,-7.76,;29.65,-8.53,;29.64,-10.08,;30.98,-10.85,;32.31,-10.08,;33.79,-10.56,;34.7,-9.3,;33.79,-8.05,;32.31,-8.53,;28.31,-10.85,;26.98,-10.07,;25.65,-10.84,;25.64,-12.38,;24.31,-13.15,;26.99,-13.15,;28.31,-12.38,;29.65,-13.15,;32.21,-5.32,;33.67,-5.79,)| Show InChI InChI=1S/C20H13F2N5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-13(17)4-7-24-19)12-3-2-11(21)8-14(12)22/h2-10H,1H3,(H,24,25) | PDB
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| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533222
(CHEMBL4513488)Show SMILES Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2ccc(F)cc2F)c1=O |(32.63,-2.61,;31.73,-3.85,;30.19,-3.86,;29.16,-2.71,;27.66,-3.04,;27.18,-4.51,;28.22,-5.65,;29.72,-5.33,;30.97,-6.22,;30.97,-7.76,;29.65,-8.53,;29.64,-10.08,;30.98,-10.85,;32.31,-10.08,;33.79,-10.56,;34.7,-9.3,;33.79,-8.05,;32.31,-8.53,;28.31,-10.85,;26.98,-10.07,;25.65,-10.84,;25.64,-12.38,;24.31,-13.15,;26.99,-13.15,;28.31,-12.38,;29.65,-13.15,;32.21,-5.32,;33.67,-5.79,)| Show InChI InChI=1S/C20H13F2N5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-13(17)4-7-24-19)12-3-2-11(21)8-14(12)22/h2-10H,1H3,(H,24,25) | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533232
(CHEMBL4564126)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)| Show InChI InChI=1S/C20H15ClFN5O2/c1-11-8-25-15(13-6-12(21)2-3-14(13)22)7-17(11)27-16-4-5-24-9-18(16)26(20(27)29)10-19(23)28/h2-9H,10H2,1H3,(H2,23,28) | PDB
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antibodypedia
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533232
(CHEMBL4564126)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)| Show InChI InChI=1S/C20H15ClFN5O2/c1-11-8-25-15(13-6-12(21)2-3-14(13)22)7-17(11)27-16-4-5-24-9-18(16)26(20(27)29)10-19(23)28/h2-9H,10H2,1H3,(H2,23,28) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533229
(CHEMBL4446613)Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533229
(CHEMBL4446613)Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
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UniProtKB/SwissProt
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antibodypedia
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AffyNet
| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533221
(CHEMBL4515962)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(C)c1=O)-c1cc(Cl)ccc1F |(10.72,-21.17,;9.39,-21.94,;9.39,-23.49,;8.05,-24.27,;6.72,-23.49,;6.72,-21.95,;8.05,-21.18,;8.04,-19.64,;6.79,-18.74,;5.29,-19.06,;4.26,-17.93,;4.73,-16.45,;6.24,-16.13,;7.27,-17.27,;8.8,-17.27,;9.7,-16.02,;9.28,-18.73,;10.75,-19.21,;5.39,-24.26,;4.05,-23.49,;2.72,-24.26,;1.39,-23.49,;2.72,-25.8,;4.06,-26.57,;5.39,-25.8,;6.72,-26.57,)| Show InChI InChI=1S/C19H14ClFN4O/c1-11-9-23-15(13-7-12(20)3-4-14(13)21)8-17(11)25-16-5-6-22-10-18(16)24(2)19(25)26/h3-10H,1-2H3 | PDB
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533221
(CHEMBL4515962)Show SMILES Cc1cnc(cc1-n1c2ccncc2n(C)c1=O)-c1cc(Cl)ccc1F |(10.72,-21.17,;9.39,-21.94,;9.39,-23.49,;8.05,-24.27,;6.72,-23.49,;6.72,-21.95,;8.05,-21.18,;8.04,-19.64,;6.79,-18.74,;5.29,-19.06,;4.26,-17.93,;4.73,-16.45,;6.24,-16.13,;7.27,-17.27,;8.8,-17.27,;9.7,-16.02,;9.28,-18.73,;10.75,-19.21,;5.39,-24.26,;4.05,-23.49,;2.72,-24.26,;1.39,-23.49,;2.72,-25.8,;4.06,-26.57,;5.39,-25.8,;6.72,-26.57,)| Show InChI InChI=1S/C19H14ClFN4O/c1-11-9-23-15(13-7-12(20)3-4-14(13)21)8-17(11)25-16-5-6-22-10-18(16)24(2)19(25)26/h3-10H,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533234
(CHEMBL4437930)Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1 Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25) | PDB
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533234
(CHEMBL4437930)Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1 Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50533229
(CHEMBL4446613)Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533231
(CHEMBL4572312)Show InChI InChI=1S/C18H15N5/c1-12-3-2-4-15(21-12)17-11-16(14-7-10-20-18(14)23-17)22-13-5-8-19-9-6-13/h2-11H,1H3,(H2,19,20,22,23) | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533231
(CHEMBL4572312)Show InChI InChI=1S/C18H15N5/c1-12-3-2-4-15(21-12)17-11-16(14-7-10-20-18(14)23-17)22-13-5-8-19-9-6-13/h2-11H,1H3,(H2,19,20,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50533229
(CHEMBL4446613)Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50533234
(CHEMBL4437930)Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1 Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50533234
(CHEMBL4437930)Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1 Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50533237
(CHEMBL4526347)Show InChI InChI=1S/C18H12F2N4/c19-14-2-1-11(9-15(14)20)16-10-17(13-5-8-22-18(13)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50533237
(CHEMBL4526347)Show InChI InChI=1S/C18H12F2N4/c19-14-2-1-11(9-15(14)20)16-10-17(13-5-8-22-18(13)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50533229
(CHEMBL4446613)Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50533229
(CHEMBL4446613)Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533225
(CHEMBL4468495)Show SMILES CC(C)(N)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F Show InChI InChI=1S/C23H22F2N6O/c1-23(2,26)12-29-22(32)16-11-27-7-6-18(16)30-20-10-19(31-21-15(20)5-8-28-21)14-4-3-13(24)9-17(14)25/h3-11H,12,26H2,1-2H3,(H,29,32)(H2,27,28,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50533225
(CHEMBL4468495)Show SMILES CC(C)(N)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F Show InChI InChI=1S/C23H22F2N6O/c1-23(2,26)12-29-22(32)16-11-27-7-6-18(16)30-20-10-19(31-21-15(20)5-8-28-21)14-4-3-13(24)9-17(14)25/h3-11H,12,26H2,1-2H3,(H,29,32)(H2,27,28,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50533237
(CHEMBL4526347)Show InChI InChI=1S/C18H12F2N4/c19-14-2-1-11(9-15(14)20)16-10-17(13-5-8-22-18(13)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50533237
(CHEMBL4526347)Show InChI InChI=1S/C18H12F2N4/c19-14-2-1-11(9-15(14)20)16-10-17(13-5-8-22-18(13)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50533234
(CHEMBL4437930)Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1 Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <794 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50533235
(CHEMBL4576833)Show InChI InChI=1S/C18H13FN4/c19-15-4-2-1-3-13(15)16-11-17(14-7-10-21-18(14)23-16)22-12-5-8-20-9-6-12/h1-11H,(H2,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50533235
(CHEMBL4576833)Show InChI InChI=1S/C18H13FN4/c19-15-4-2-1-3-13(15)16-11-17(14-7-10-21-18(14)23-16)22-12-5-8-20-9-6-12/h1-11H,(H2,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50533234
(CHEMBL4437930)Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1 Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <794 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50533234
(CHEMBL4437930)Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1 Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50533224
(CHEMBL4474551)Show SMILES Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2cc(Cl)ccc2F)c1=O |(44.86,-2.72,;43.96,-3.97,;42.43,-3.98,;41.4,-2.83,;39.89,-3.15,;39.42,-4.63,;40.45,-5.76,;41.95,-5.44,;43.2,-6.34,;43.21,-7.88,;41.88,-8.65,;41.88,-10.19,;43.21,-10.96,;44.54,-10.19,;46.02,-10.67,;46.93,-9.42,;46.02,-8.16,;44.54,-8.64,;40.55,-10.96,;39.21,-10.19,;37.88,-10.96,;36.55,-10.18,;37.88,-12.5,;39.22,-13.27,;40.55,-12.5,;41.88,-13.26,;44.44,-5.43,;45.91,-5.91,)| Show InChI InChI=1S/C20H13ClFN5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-12(17)4-7-24-19)13-8-11(21)2-3-14(13)22/h2-10H,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT |
More data for this
Ligand-Target Pair | |
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