Found 8 hits for monomerid = 50533223 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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 |
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 | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030 |
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 | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay |
Bioorg Med Chem Lett 26: 4334-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.030 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.16E+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 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.31E+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 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.31E+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 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.16E+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 |
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 |
More data for this
Ligand-Target Pair | |
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