Found 3518 hits with Last Name = 'nie' and Initial = 'z' 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 |
|---|
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | CHEMBL5271774
| PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
UniChem
| | 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254931
(US9499542, 14 | US9675594, 14)Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254931
(US9499542, 14 | US9675594, 14)Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214466
(CHEMBL398149 | N-(3-(8-cyano-4-(cyclopropylamino)p...)Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C#N)c3n2)c1 Show InChI InChI=1S/C17H16N8O/c1-10(26)20-13-3-2-4-14(7-13)21-16-23-15-11(8-18)9-19-25(15)17(24-16)22-12-5-6-12/h2-4,7,9,12H,5-6H2,1H3,(H,20,26)(H2,21,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | CHEMBL5270286
| PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 0.346 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214473
(CHEMBL230354 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZO...)Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1 Show InChI InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254929
(US9499542, 12 | US9675594, 12)Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374656
(CHEMBL401544)Show SMILES O=C(N1CCNCC1)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C27H29N9O2/c37-23-10-2-1-5-19-17-29-36-24(19)33-26(31-22-9-4-8-21(16-22)30-23)34-27(36)32-20-7-3-6-18(15-20)25(38)35-13-11-28-12-14-35/h3-4,6-9,15-17,28H,1-2,5,10-14H2,(H,30,37)(H2,31,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374653
(CHEMBL271020)Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C28H31N9O2/c1-35-12-14-36(15-13-35)26(39)19-7-4-8-21(16-19)32-28-34-27-31-23-10-5-9-22(17-23)30-24(38)11-3-2-6-20-18-29-37(28)25(20)33-27/h4-5,7-10,16-18H,2-3,6,11-15H2,1H3,(H,30,38)(H2,31,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374654
(CHEMBL271645)Show SMILES CN(C1CCN(C)CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C30H35N9O2/c1-37-15-13-25(14-16-37)38(2)28(41)20-8-5-9-22(17-20)34-30-36-29-33-24-11-6-10-23(18-24)32-26(40)12-4-3-7-21-19-31-39(30)27(21)35-29/h5-6,8-11,17-19,25H,3-4,7,12-16H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374662
(CHEMBL256401)Show SMILES CN(C)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:3.2| Show InChI InChI=1S/C29H33N9O2/c1-36(2)24-13-14-37(18-24)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364234
(CHEMBL1952279)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136934
(3',4'-Dichloro-biphenyl-3-sulfonic acid (3-chloro-...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21Cl3N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)26)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(24)20(25)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50191330
(4,5,6,7,8,9,10,11,13,17a,18,19,20,21,22,22a-hexade...)Show SMILES CN1C2CCC1C1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)C1C2 |TLB:7:6:1:3.4,THB:25:28:1:3.4| Show InChI InChI=1S/C25H36N2O3/c1-27-20-14-15-23(27)22-17-30-25(29)9-7-5-3-2-4-6-8-24(28)26-19-12-10-18(11-13-19)21(22)16-20/h10-13,20-23H,2-9,14-17H2,1H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from human 5HTT |
J Med Chem 49: 4589-94 (2006)
Article DOI: 10.1021/jm060287w
BindingDB Entry DOI: 10.7270/Q28053DM |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214454
(CHEMBL230462 | N-(3-(8-cyano-4-(cyclobutylamino)py...)Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CCC3)n3ncc(C#N)c3n2)c1 Show InChI InChI=1S/C18H18N8O/c1-11(27)21-14-6-3-7-15(8-14)22-17-24-16-12(9-19)10-20-26(16)18(25-17)23-13-4-2-5-13/h3,6-8,10,13H,2,4-5H2,1H3,(H,21,27)(H2,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254929
(US9499542, 12 | US9675594, 12)Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374658
(CHEMBL401614)Show SMILES CN(C1CCN(C)C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:2.1| Show InChI InChI=1S/C29H33N9O2/c1-36-14-13-24(18-36)37(2)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374651
(CHEMBL257219)Show SMILES CCN(CC)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:5.4| Show InChI InChI=1S/C31H37N9O2/c1-3-38(4-2)26-15-16-39(20-26)29(42)21-10-7-11-23(17-21)35-31-37-30-34-25-13-8-12-24(18-25)33-27(41)14-6-5-9-22-19-32-40(31)28(22)36-30/h7-8,10-13,17-19,26H,3-6,9,14-16,20H2,1-2H3,(H,33,41)(H2,34,35,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374655
(CHEMBL401945)Show SMILES CCN(CC)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C30H37N9O2/c1-4-38(5-2)17-16-37(3)28(41)21-11-8-12-23(18-21)34-30-36-29-33-25-14-9-13-24(19-25)32-26(40)15-7-6-10-22-20-31-39(30)27(22)35-29/h8-9,11-14,18-20H,4-7,10,15-17H2,1-3H3,(H,32,40)(H2,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50118185
((3S,8R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[...)Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11| Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?/m1/s1 | PDB
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| 2.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Tested for the binding affinity towards Serotonin transporter in rat midbrain tissue by displacing [3H]paroxetine radioligand |
J Med Chem 45: 4029-37 (2002)
BindingDB Entry DOI: 10.7270/Q20P10RR |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254928
(US9499542, 11 | US9675594, 11)Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136916
(3'-Chloro-4'-fluoro-biphenyl-3-sulfonic acid (3-ch...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(Cl)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21Cl2FN4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)25)30-33(31,32)17-5-3-4-14(8-17)15-6-7-20(26)19(24)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29) | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374657
(CHEMBL257736)Show SMILES CCN(CC)C1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C30H35N9O2/c1-3-37(4-2)25-18-38(19-25)28(41)20-10-7-11-22(15-20)34-30-36-29-33-24-13-8-12-23(16-24)32-26(40)14-6-5-9-21-17-31-39(30)27(21)35-29/h7-8,10-13,15-17,25H,3-6,9,14,18-19H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374660
(CHEMBL256189)Show SMILES OC1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C26H26N8O3/c35-21-14-33(15-21)24(37)16-6-3-7-18(11-16)30-26-32-25-29-20-9-4-8-19(12-20)28-22(36)10-2-1-5-17-13-27-34(26)23(17)31-25/h3-4,6-9,11-13,21,35H,1-2,5,10,14-15H2,(H,28,36)(H2,29,30,31,32) | PDB
MMDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136914
(4'-Chloro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(C)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H24Cl2N4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)26)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(25)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29) | PDB
MMDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254919
(US9499542, 2 | US9675594, 2)Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374659
(CHEMBL402246)Show SMILES CN(C)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C28H33N9O2/c1-35(2)14-15-36(3)26(39)19-9-6-10-21(16-19)32-28-34-27-31-23-12-7-11-22(17-23)30-24(38)13-5-4-8-20-18-29-37(28)25(20)33-27/h6-7,9-12,16-18H,4-5,8,13-15H2,1-3H3,(H,30,38)(H2,31,32,33,34) | PDB
MMDB
Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214444
(2-(p-toluidino)-4-(phenylamino)pyrazolo[1,5-a][1,3...)Show InChI InChI=1S/C19H15N7/c1-13-7-9-16(10-8-13)22-18-24-17-14(11-20)12-21-26(17)19(25-18)23-15-5-3-2-4-6-15/h2-10,12H,1H3,(H2,22,23,24,25) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214465
(2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,...)Show SMILES Clc1ccc(CNc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1 Show InChI InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374661
(CHEMBL402306)Show SMILES CN(C)CCNC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C27H31N9O2/c1-35(2)14-13-28-25(38)18-8-5-9-20(15-18)32-27-34-26-31-22-11-6-10-21(16-22)30-23(37)12-4-3-7-19-17-29-36(27)24(19)33-26/h5-6,8-11,15-17H,3-4,7,12-14H2,1-2H3,(H,28,38)(H,30,37)(H2,31,32,33,34) | PDB
MMDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254918
(US9499542, 1 | US9675594, 1)Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254918
(US9499542, 1 | US9675594, 1)Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214477
(4-(phenylamino)-2-(4-(pyridin-2-yl)piperazin-1-yl)...)Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H19N9/c22-14-16-15-24-30-19(16)26-20(27-21(30)25-17-6-2-1-3-7-17)29-12-10-28(11-13-29)18-8-4-5-9-23-18/h1-9,15H,10-13H2,(H,25,26,27) | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50296485
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1 | PDB
NCI pathway
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374652
(CHEMBL271848)Show SMILES CN1CC(C1)NC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C27H29N9O2/c1-35-15-22(16-35)30-25(38)17-7-4-8-19(12-17)32-27-34-26-31-21-10-5-9-20(13-21)29-23(37)11-3-2-6-18-14-28-36(27)24(18)33-26/h4-5,7-10,12-14,22H,2-3,6,11,15-16H2,1H3,(H,29,37)(H,30,38)(H2,31,32,33,34) | PDB
MMDB
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KEGG
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PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214474
(CHEMBL230353 | N-(3-(8-cyano-4-(phenethylamino)pyr...)Show SMILES CC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)c1 Show InChI InChI=1S/C22H20N8O/c1-15(31)26-18-8-5-9-19(12-18)27-21-28-20-17(13-23)14-25-30(20)22(29-21)24-11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11H2,1H3,(H,26,31)(H2,24,27,28,29) | PDB
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PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214460
(2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[...)Show InChI InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25) | PDB
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Similars
| Article
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136919
(3',4'-Difluoro-biphenyl-3-sulfonic acid (3-chloro-...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(F)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21ClF2N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)24)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(25)20(26)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214448
(2-(3,4-dimethoxyphenylamino)-4-(phenylamino)pyrazo...)Show SMILES COc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1OC Show InChI InChI=1S/C20H17N7O2/c1-28-16-9-8-15(10-17(16)29-2)23-19-25-18-13(11-21)12-22-27(18)20(26-19)24-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H2,23,24,25,26) | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136913
(CHEMBL156794 | N-(3-Chloro-7-isobutylamino-1H-inda...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cnc3ccccc3c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C26H24ClN5O2S/c1-16(2)14-28-24-13-20(12-22-25(24)30-31-26(22)27)32-35(33,34)21-8-5-7-17(11-21)19-10-18-6-3-4-9-23(18)29-15-19/h3-13,15-16,28,32H,14H2,1-2H3,(H,30,31) | PDB
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| 10.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214464
(CHEMBL230568 | N-(3-(8-methyl-4-(phenylamino)pyraz...)Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C)c3n2)c1 Show InChI InChI=1S/C20H19N7O/c1-13-12-21-27-18(13)25-19(26-20(27)24-15-7-4-3-5-8-15)23-17-10-6-9-16(11-17)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H2,23,24,25,26) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136936
(3'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-8-4-6-16(10-19)15-5-3-7-17(9-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214450
(2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(phenylamino...)Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(nc12)N1CCc2ccccc2C1 Show InChI InChI=1S/C21H17N7/c22-12-17-13-23-28-19(17)25-20(26-21(28)24-18-8-2-1-3-9-18)27-11-10-15-6-4-5-7-16(15)14-27/h1-9,13H,10-11,14H2,(H,24,25,26) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254928
(US9499542, 11 | US9675594, 11)Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214457
(2-(2,3-dihydro-1H-inden-2-ylamino)-4-(phenylamino)...)Show SMILES N#Cc1cnn2c(Nc3ccccc3)nc(NC3Cc4ccccc4C3)nc12 Show InChI InChI=1S/C21H17N7/c22-12-16-13-23-28-19(16)26-20(27-21(28)25-17-8-2-1-3-9-17)24-18-10-14-6-4-5-7-15(14)11-18/h1-9,13,18H,10-11H2,(H2,24,25,26,27) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136942
(4'-Chloro-biphenyl-3-sulfonic acid (3-chloro-7-iso...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H22Cl2N4O2S/c1-14(2)13-26-21-12-18(11-20-22(21)27-28-23(20)25)29-32(30,31)19-5-3-4-16(10-19)15-6-8-17(24)9-7-15/h3-12,14,26,29H,13H2,1-2H3,(H,27,28) | PDB
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| 12.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136911
(4'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-5-3-4-16(10-19)15-6-8-17(9-7-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31) | PDB
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| CHEMBL
PC cid
PC sid
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214453
(2-(isopentylamino)-4-(phenylamino)pyrazolo[1,5-a][...)Show InChI InChI=1S/C17H19N7/c1-12(2)8-9-19-16-22-15-13(10-18)11-20-24(15)17(23-16)21-14-6-4-3-5-7-14/h3-7,11-12H,8-9H2,1-2H3,(H2,19,21,22,23) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM254919
(US9499542, 2 | US9675594, 2)Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18) | PDB
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| PC cid
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50250336
(CHEMBL4068861)Show InChI InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate af... |
J Med Chem 60: 8945-8962 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01186
BindingDB Entry DOI: 10.7270/Q2BR8VMR |
More data for this
Ligand-Target Pair | |
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