Found 51 hits with Last Name = 'mclean' and Initial = 'lr' 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 ITK/TSK
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 ITK/TSK
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 ITK/TSK
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DHODH by using blue indicator dye DCIP |
Bioorg Med Chem Lett 20: 1981-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.115
BindingDB Entry DOI: 10.7270/Q2CF9Q7R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c... |
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 ITK/TSK
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50381090
(CHEMBL2017551)Show SMILES CCOc1cc2[nH]c(nc2cc1F)-c1n[nH]cc1NC(=O)N(CC)CC Show InChI InChI=1S/C17H21FN6O2/c1-4-24(5-2)17(25)22-13-9-19-23-15(13)16-20-11-7-10(18)14(26-6-3)8-12(11)21-16/h7-9H,4-6H2,1-3H3,(H,19,23)(H,20,21)(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c... |
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 ITK/TSK
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 ITK/TSK
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 |
3D Structure (crystal) |
Macrophage migration inhibitory factor
(Homo sapiens (Human)) | BDBM50313986
(3-(3,4-dihydroxyphenyl)-4H-chromen-4-one | CHEMBL1...)Show InChI InChI=1S/C15H10O4/c16-12-6-5-9(7-13(12)17)11-8-19-14-4-2-1-3-10(14)15(11)18/h1-8,16-17H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis
Curated by ChEMBL
| Assay Description
Inhibition of MIF |
Bioorg Med Chem Lett 20: 1821-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.009
BindingDB Entry DOI: 10.7270/Q2D79BJG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(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 | 39.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Lck 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)) | 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 Lck
(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 | 63.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Lck 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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50313603
(2-(cyclopropanecarboxamido)-5-(methyl(pyridin-3-yl...)Show InChI InChI=1S/C18H19N3O3/c1-21(11-12-3-2-8-19-10-12)14-6-7-16(15(9-14)18(23)24)20-17(22)13-4-5-13/h2-3,6-10,13H,4-5,11H2,1H3,(H,20,22)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DHODH by using blue indicator dye DCIP |
Bioorg Med Chem Lett 20: 1981-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.115
BindingDB Entry DOI: 10.7270/Q2CF9Q7R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50381090
(CHEMBL2017551)Show SMILES CCOc1cc2[nH]c(nc2cc1F)-c1n[nH]cc1NC(=O)N(CC)CC Show InChI InChI=1S/C17H21FN6O2/c1-4-24(5-2)17(25)22-13-9-19-23-15(13)16-20-11-7-10(18)14(26-6-3)8-12(11)21-16/h7-9H,4-6H2,1-3H3,(H,19,23)(H,20,21)(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 Lck
(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 | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Lck 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 SYK
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c... |
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 ITK/TSK
(Homo sapiens (Human)) | BDBM50381095
(CHEMBL2017550)Show InChI InChI=1S/C14H10N4O/c19-8-5-6-11-12(7-8)16-14(15-11)13-9-3-1-2-4-10(9)17-18-13/h1-7,19H,(H,15,16)(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun... |
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 Lck
(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 | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Lck 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 SYK
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 287 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c... |
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 SYK
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 358 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c... |
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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50313601
(2-(2-((5-(2-chlorophenyl)furan-2-yl)methylene)hydr...)Show SMILES OC(=O)c1ccccc1N=NCc1ccc(o1)-c1ccccc1Cl |w:10.11| Show InChI InChI=1S/C18H13ClN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-16-8-4-2-6-14(16)18(22)23/h1-10H,11H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DHODH by using blue indicator dye DCIP |
Bioorg Med Chem Lett 20: 1981-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.115
BindingDB Entry DOI: 10.7270/Q2CF9Q7R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50313600
(2-(3-(3,5-dichlorophenyl)ureido)benzoic acid | 2-{...)Show InChI InChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DHODH by using blue indicator dye DCIP |
Bioorg Med Chem Lett 20: 1981-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.115
BindingDB Entry DOI: 10.7270/Q2CF9Q7R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase SYK
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 939 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c... |
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 Lck
(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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Lck 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 | |
Kallikrein-6
(Homo sapiens (Human)) | BDBM50386418
(CHEMBL2047313)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O |r| Show InChI InChI=1S/C28H28N4O4S2/c1-36-22-9-7-20-8-11-24(16-21(20)15-22)38(34,35)32(17-19-5-3-2-4-6-19)25-13-14-31(28(25)33)18-23-10-12-26(37-23)27(29)30/h2-12,15-16,25H,13-14,17-18H2,1H3,(H3,29,30)/t25-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ... |
ACS Med Chem Lett 3: 159-164 (2012)
Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c... |
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 | |
Kallikrein-6
(Homo sapiens (Human)) | BDBM50386416
(CHEMBL2047314)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccsc1)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C26H26N4O4S3/c1-34-21-4-2-19-3-5-22(12-20(19)11-21)37(32,33)30(14-17-7-9-35-15-17)23-6-8-29(26(23)31)13-18-10-24(25(27)28)36-16-18/h2-5,7,9-12,15-16,23H,6,8,13-14H2,1H3,(H3,27,28)/t23-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ... |
ACS Med Chem Lett 3: 159-164 (2012)
Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(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 | 3.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Inhibition of Lck 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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50313602
(5-(methyl(pyridin-3-ylmethyl)amino)-2-propionamido...)Show InChI InChI=1S/C17H19N3O3/c1-3-16(21)19-15-7-6-13(9-14(15)17(22)23)20(2)11-12-5-4-8-18-10-12/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-aventis
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DHODH by using blue indicator dye DCIP |
Bioorg Med Chem Lett 20: 1981-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.115
BindingDB Entry DOI: 10.7270/Q2CF9Q7R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kallikrein-6
(Homo sapiens (Human)) | BDBM50080493
(5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-15-4-2-13-3-6-17(11-14(13)10-15)31(27,28)24-18-8-9-25(21(18)26)12-16-5-7-19(30-16)20(22)23/h2-7,10-11,18,24H,8-9,12H2,1H3,(H3,22,23)/t18-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ... |
ACS Med Chem Lett 3: 159-164 (2012)
Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M |
More data for this
Ligand-Target Pair | |
Kallikrein-6
(Homo sapiens (Human)) | BDBM50386417
(CHEMBL2047315)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O |r| Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-9-10-26(22(19)27)13-17-6-8-20(31-17)21(23)24)32(28,29)18-7-4-14-3-5-16(30-2)11-15(14)12-18/h3-8,11-12,19H,9-10,13H2,1-2H3,(H3,23,24)/t19-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ... |
ACS Med Chem Lett 3: 159-164 (2012)
Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M |
More data for this
Ligand-Target Pair | |
Kallikrein-6
(Homo sapiens (Human)) | BDBM50080492
(5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-13-3-5-18(10-14(13)8-16)31(27,28)24-19-6-7-25(21(19)26)11-17-9-15(12-30-17)20(22)23/h2-5,8-10,12,19,24H,6-7,11H2,1H3,(H3,22,23)/t19-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ... |
ACS Med Chem Lett 3: 159-164 (2012)
Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M |
More data for this
Ligand-Target Pair | |
Kallikrein-6
(Homo sapiens (Human)) | BDBM13279
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ... |
ACS Med Chem Lett 3: 159-164 (2012)
Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50467052
(CHEMBL4279401)Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r| Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50467053
(CHEMBL4290744)Show SMILES CC1(C)CCc2cc(OC[C@@H]3Cn4ccc(=O)nc4O3)ccc12 |r| Show InChI InChI=1S/C18H20N2O3/c1-18(2)7-5-12-9-13(3-4-15(12)18)22-11-14-10-20-8-6-16(21)19-17(20)23-14/h3-4,6,8-9,14H,5,7,10-11H2,1-2H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 159 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50467054
(CHEMBL4288731)Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r| Show InChI InChI=1S/C21H20N2O3/c1-14-4-3-5-19(15(14)2)16-6-8-17(9-7-16)25-13-18-12-23-11-10-20(24)22-21(23)26-18/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50467054
(CHEMBL4288731)Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r| Show InChI InChI=1S/C21H20N2O3/c1-14-4-3-5-19(15(14)2)16-6-8-17(9-7-16)25-13-18-12-23-11-10-20(24)22-21(23)26-18/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50467055
(CHEMBL4283963)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r| Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)15-3-1-2-14(10-15)13-4-6-16(7-5-13)27-12-17-11-25-9-8-18(26)24-19(25)28-17/h1-10,17H,11-12H2/t17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50467053
(CHEMBL4290744)Show SMILES CC1(C)CCc2cc(OC[C@@H]3Cn4ccc(=O)nc4O3)ccc12 |r| Show InChI InChI=1S/C18H20N2O3/c1-18(2)7-5-12-9-13(3-4-15(12)18)22-11-14-10-20-8-6-16(21)19-17(20)23-14/h3-4,6,8-9,14H,5,7,10-11H2,1-2H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50467057
(CHEMBL4295230)Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3c(O2)nc(=O)cc3C)cc1 |r| Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-15(2)11-21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Rattus norvegicus) | BDBM50467058
(CHEMBL4278070)Show SMILES CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r| Show InChI InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 314 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50467052
(CHEMBL4279401)Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r| Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50467057
(CHEMBL4295230)Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3c(O2)nc(=O)cc3C)cc1 |r| Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-15(2)11-21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 274 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50467058
(CHEMBL4278070)Show SMILES CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r| Show InChI InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a |
Sanofi US
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl... |
Bioorg Med Chem Lett 28: 3194-3196 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB |
More data for this
Ligand-Target Pair | |
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