Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50039626 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 |
|---|
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50381093
(CHEMBL2017554)Show SMILES CCC(O)(CC)c1cc(OCCN2CCOCC2)c2cc([nH]c2c1)-c1n[nH]c2ccsc12 Show InChI InChI=1S/C24H30N4O3S/c1-3-24(29,4-2)16-13-19-17(21(14-16)31-11-8-28-6-9-30-10-7-28)15-20(25-19)22-23-18(26-27-22)5-12-32-23/h5,12-15,25,29H,3-4,6-11H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 55.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting |
Bioorg Med Chem Lett 22: 3296-300 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50381094
(CHEMBL2017553)Show SMILES CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccsc12 Show InChI InChI=1S/C18H19N3OS/c1-3-18(22,4-2)12-6-5-11-9-15(19-14(11)10-12)16-17-13(20-21-16)7-8-23-17/h5-10,19,22H,3-4H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting |
Bioorg Med Chem Lett 22: 3296-300 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50381092
(CHEMBL2017552)Show InChI InChI=1S/C16H15N3OS/c1-16(2,20)10-4-3-9-7-13(17-12(9)8-10)14-15-11(18-19-14)5-6-21-15/h3-8,17,20H,1-2H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting |
Bioorg Med Chem Lett 22: 3296-300 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50381096
(CHEMBL2017556)Show SMILES CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F Show InChI InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting |
Bioorg Med Chem Lett 22: 3296-300 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50381091
(CHEMBL2017555)Show SMILES CCC(O)(CC)c1ccc2c(c([nH]c2c1)-c1n[nH]c2ccsc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C25H25N3O2S/c1-4-25(29,5-2)16-8-11-18-20(14-16)26-22(23-24-19(27-28-23)12-13-31-24)21(18)15-6-9-17(30-3)10-7-15/h6-14,26,29H,4-5H2,1-3H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 241 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting |
Bioorg Med Chem Lett 22: 3296-300 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50381097
(CHEMBL2017557)Show SMILES CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)-c1ccccc1 Show InChI InChI=1S/C24H23N3OS/c1-3-24(28,4-2)17-11-10-16-12-19(25-18(16)13-17)22-23-20(26-27-22)14-21(29-23)15-8-6-5-7-9-15/h5-14,25,28H,3-4H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting |
Bioorg Med Chem Lett 22: 3296-300 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00 |
More data for this
Ligand-Target Pair | |
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