Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50002451 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 |
|---|
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM347339
(2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458630
(CHEMBL4203429)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CS(C)(=O)=O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H30F4N2O5S/c1-5-39-24-13-25(35)33-15-21(24)17-6-7-18(23(29)10-17)11-26(36)34-20-9-8-19(22(12-20)28(30,31)32)14-27(2,3)16-40(4,37)38/h6-10,12-13,15H,5,11,14,16H2,1-4H3,(H,33,35)(H,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458621
(CHEMBL4218563)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H27F4N3O3/c1-4-36-22-12-23(34)32-14-19(22)15-5-6-16(21(27)9-15)10-24(35)33-18-8-7-17(13-25(2,3)31)20(11-18)26(28,29)30/h5-9,11-12,14H,4,10,13,31H2,1-3H3,(H,32,34)(H,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458627
(CHEMBL4218127)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H26F4N2O4/c1-4-36-22-12-23(33)31-14-19(22)15-5-6-16(21(27)9-15)10-24(34)32-18-8-7-17(13-25(2,3)35)20(11-18)26(28,29)30/h5-9,11-12,14,35H,4,10,13H2,1-3H3,(H,31,33)(H,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM347313
(2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C27H28F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11-12,14,34H,4,10,13,15H2,1-3H3,(H,32,35)(H,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM347342
(2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458622
(CHEMBL4213626)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CN(C)C)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H25F4N3O3/c1-4-35-22-12-23(33)30-13-19(22)15-5-6-16(21(26)9-15)10-24(34)31-18-8-7-17(14-32(2)3)20(11-18)25(27,28)29/h5-9,11-13H,4,10,14H2,1-3H3,(H,30,33)(H,31,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458628
(CHEMBL4212513)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(c2)C(F)(F)F)-c2nnc(C)o2)c(F)c1 Show InChI InChI=1S/C25H20F4N4O4/c1-3-36-21-11-22(34)30-12-19(21)14-4-5-15(20(26)8-14)9-23(35)31-18-7-16(24-33-32-13(2)37-24)6-17(10-18)25(27,28)29/h4-8,10-12H,3,9H2,1-2H3,(H,30,34)(H,31,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458626
(CHEMBL4214146)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(C(C)C#N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H21F4N3O3/c1-3-35-22-11-23(33)31-13-19(22)15-4-5-16(21(26)8-15)9-24(34)32-17-6-7-18(14(2)12-30)20(10-17)25(27,28)29/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,31,33)(H,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50458631
(CHEMBL4209229)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(CN(C)C)c2F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H24F5N3O3/c1-4-36-21-11-22(34)31-12-18(21)14-5-6-15(19(26)8-14)9-23(35)32-20-10-17(25(28,29)30)7-16(24(20)27)13-33(2)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,34)(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM347345
(2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...)Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cccc(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18F4N2O3/c1-2-31-19-11-20(29)27-12-17(19)13-6-7-14(18(23)8-13)9-21(30)28-16-5-3-4-15(10-16)22(24,25)26/h3-8,10-12H,2,9H2,1H3,(H,27,29)(H,28,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA |
ACS Med Chem Lett 9: 623-628 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW |
More data for this
Ligand-Target Pair | |
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