Found 179 hits with Last Name = 'wovkulich' and Initial = 'p' 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 SYK [360-635]
(Homo sapiens (Human)) | BDBM227529
(US9334278, I-18)Show SMILES Cc1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)sn1 Show InChI InChI=1S/C15H18N6OS/c1-8-5-11(23-21-8)18-10-7-17-13-12(19-10)9(6-16-13)14(22)20-15(2,3)4/h5-7H,1-4H3,(H,16,17)(H,18,19)(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227523
(US9334278, I-12)Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cc1 Show InChI InChI=1S/C18H21N5O/c1-11-5-7-12(8-6-11)21-14-10-20-16-15(22-14)13(9-19-16)17(24)23-18(2,3)4/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227549
(US9334278, I-37)Show InChI InChI=1S/C18H21N5O/c1-11-15(21-12-8-6-5-7-9-12)22-14-13(10-19-16(14)20-11)17(24)23-18(2,3)4/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444358
(CHEMBL3094437)Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CC3CCC(C2)O3)c1)c1ccccc1 Show InChI InChI=1S/C30H30ClN7O4/c31-23-9-6-18(27(39)34-24(10-11-32)17-4-2-1-3-5-17)13-25(23)35-28(40)22-12-19-14-33-30(37-26(19)36-29(22)41)38-15-20-7-8-21(16-38)42-20/h1-6,9,12-14,20-21,24H,7-8,10-11,15-16,32H2,(H,34,39)(H,35,40)(H,33,36,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227537
(US9334278, I-26)Show InChI InChI=1S/C16H18N6O2/c1-16(2,9-23)22-15(24)11-7-18-14-13(11)21-12(8-19-14)20-10-4-3-5-17-6-10/h3-8,23H,9H2,1-2H3,(H,18,19)(H,20,21)(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227535
(US9334278, I-24)Show SMILES CC(O)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444361
(CHEMBL3094434)Show SMILES CN1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1 Show InChI InChI=1S/C32H38ClN9O3/c1-41-14-16-42(17-15-41)13-5-12-35-32-36-20-23-18-24(31(45)39-28(23)40-32)30(44)38-27-19-22(8-9-25(27)33)29(43)37-26(10-11-34)21-6-3-2-4-7-21/h2-4,6-9,18-20,26H,5,10-17,34H2,1H3,(H,37,43)(H,38,44)(H2,35,36,39,40,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444373
(CHEMBL3094454)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CN)c3ccccc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C24H21ClN6O4/c1-35-24-27-12-15-9-16(23(34)30-20(15)31-24)22(33)28-18-10-14(7-8-17(18)25)21(32)29-19(11-26)13-5-3-2-4-6-13/h2-10,12,19H,11,26H2,1H3,(H,28,33)(H,29,32)(H,27,30,31,34) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444358
(CHEMBL3094437)Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CC3CCC(C2)O3)c1)c1ccccc1 Show InChI InChI=1S/C30H30ClN7O4/c31-23-9-6-18(27(39)34-24(10-11-32)17-4-2-1-3-5-17)13-25(23)35-28(40)22-12-19-14-33-30(37-26(19)36-29(22)41)38-15-20-7-8-21(16-38)42-20/h1-6,9,12-14,20-21,24H,7-8,10-11,15-16,32H2,(H,34,39)(H,35,40)(H,33,36,37,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227512
(US9334278, I-1)Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)nc1 Show InChI InChI=1S/C17H20N6O/c1-10-5-6-12(18-7-10)21-13-9-20-15-14(22-13)11(8-19-15)16(24)23-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,23,24)(H,18,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444373
(CHEMBL3094454)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CN)c3ccccc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C24H21ClN6O4/c1-35-24-27-12-15-9-16(23(34)30-20(15)31-24)22(33)28-18-10-14(7-8-17(18)25)21(32)29-19(11-26)13-5-3-2-4-6-13/h2-10,12,19H,11,26H2,1H3,(H,28,33)(H,29,32)(H,27,30,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444367
(CHEMBL3094460)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c3ccccc3)c(=O)[nH]c2n1 |r| Show InChI InChI=1S/C25H23ClN6O4/c1-36-25-28-13-16-11-17(24(35)31-21(16)32-25)23(34)30-20-12-15(7-8-18(20)26)22(33)29-19(9-10-27)14-5-3-2-4-6-14/h2-8,11-13,19H,9-10,27H2,1H3,(H,29,33)(H,30,34)(H,28,31,32,35)/t19-/m1/s1 | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444372
(CHEMBL3094455)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3ccccc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C25H23ClN6O4/c1-36-25-28-13-16-11-17(24(35)31-21(16)32-25)23(34)30-20-12-15(7-8-18(20)26)22(33)29-19(9-10-27)14-5-3-2-4-6-14/h2-8,11-13,19H,9-10,27H2,1H3,(H,29,33)(H,30,34)(H,28,31,32,35) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444359
(CHEMBL3094436)Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CCC(N)CC2)c1)c1ccccc1 Show InChI InChI=1S/C29H31ClN8O3/c30-22-7-6-18(26(39)34-23(8-11-31)17-4-2-1-3-5-17)15-24(22)35-27(40)21-14-19-16-33-29(37-25(19)36-28(21)41)38-12-9-20(32)10-13-38/h1-7,14-16,20,23H,8-13,31-32H2,(H,34,39)(H,35,40)(H,33,36,37,41) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM291171
(US9580411, Example 86)Show SMILES Fc1ccc(cc1)N(CC(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H18F5N5O3S/c26-17-2-6-20(7-3-17)35(39(37,38)21-8-4-18(27)5-9-21)14-24(36)32-13-19-11-22(34-15-33-19)16-1-10-23(31-12-16)25(28,29)30/h1-12,15H,13-14H2,(H,32,36) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | 25 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e... |
US Patent US9580411 (2017)
BindingDB Entry DOI: 10.7270/Q25T3NJM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50328264
(5-(2-chlorophenyl)-3-isopropyl-7-nitro-2,10-dihydr...)Show SMILES CC(C)c1n[nH]c2Nc3ccc(cc3C(=Nc12)c1ccccc1Cl)[N+]([O-])=O |c:15| Show InChI InChI=1S/C19H16ClN5O2/c1-10(2)16-18-19(24-23-16)21-15-8-7-11(25(26)27)9-13(15)17(22-18)12-5-3-4-6-14(12)20/h3-10H,1-2H3,(H2,21,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2-cyclin E |
Bioorg Med Chem Lett 20: 5984-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.079
BindingDB Entry DOI: 10.7270/Q21C1X42 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227522
(US9334278, I-11)Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c(F)c1 Show InChI InChI=1S/C18H20FN5O/c1-10-5-6-13(12(19)7-10)22-14-9-21-16-15(23-14)11(8-20-16)17(25)24-18(2,3)4/h5-9H,1-4H3,(H,20,21)(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10.9 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444365
(CHEMBL3094462)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3cccc(Cl)c3)c(=O)[nH]c2n1 Show InChI InChI=1S/C25H22Cl2N6O4/c1-37-25-29-12-15-10-17(24(36)32-21(15)33-25)23(35)31-20-11-14(5-6-18(20)27)22(34)30-19(7-8-28)13-3-2-4-16(26)9-13/h2-6,9-12,19H,7-8,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444365
(CHEMBL3094462)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3cccc(Cl)c3)c(=O)[nH]c2n1 Show InChI InChI=1S/C25H22Cl2N6O4/c1-37-25-29-12-15-10-17(24(36)32-21(15)33-25)23(35)31-20-11-14(5-6-18(20)27)22(34)30-19(7-8-28)13-3-2-4-16(26)9-13/h2-6,9-12,19H,7-8,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227524
(US9334278, I-13)Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cccc(c3)S(C)(=O)=O)nc12 Show InChI InChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-6-5-7-12(8-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 12.8 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444360
(CHEMBL3094435)Show SMILES CN1CCN(CCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1 Show InChI InChI=1S/C31H36ClN9O3/c1-40-13-15-41(16-14-40)12-11-34-31-35-19-22-17-23(30(44)38-27(22)39-31)29(43)37-26-18-21(7-8-24(26)32)28(42)36-25(9-10-33)20-5-3-2-4-6-20/h2-8,17-19,25H,9-16,33H2,1H3,(H,36,42)(H,37,43)(H2,34,35,38,39,44) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM291170
(2-[N-(Propan-2-yl)(4-fluorobenzene)sulfonamido]-N-...)Show SMILES CC(C)N(CC(=O)NCc1cc(ncn1)C1=CCC(CC1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |t:16| Show InChI InChI=1S/C23H26F4N4O3S/c1-15(2)31(35(33,34)20-9-7-18(24)8-10-20)13-22(32)28-12-19-11-21(30-14-29-19)16-3-5-17(6-4-16)23(25,26)27/h3,7-11,14-15,17H,4-6,12-13H2,1-2H3,(H,28,32) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | 25 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e... |
US Patent US9580411 (2017)
BindingDB Entry DOI: 10.7270/Q25T3NJM |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444372
(CHEMBL3094455)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3ccccc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C25H23ClN6O4/c1-36-25-28-13-16-11-17(24(35)31-21(16)32-25)23(34)30-20-12-15(7-8-18(20)26)22(33)29-19(9-10-27)14-5-3-2-4-6-14/h2-8,11-13,19H,9-10,27H2,1H3,(H,29,33)(H,30,34)(H,28,31,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227516
(US9334278, I-5)Show SMILES Cn1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 Show InChI InChI=1S/C15H19N7O/c1-15(2,3)21-14(23)10-6-16-13-12(10)20-11(7-17-13)19-9-5-18-22(4)8-9/h5-8H,1-4H3,(H,16,17)(H,19,20)(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434284
(CHEMBL2386349)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C40H49Cl2N5O3/c1-7-50-34-26-30(38(2,3)4)14-19-33(34)36-43-39(5,28-10-15-31(41)16-11-28)40(6,29-12-17-32(42)18-13-29)47(36)37(49)46-24-22-44(23-25-46)27-35(48)45-20-8-9-21-45/h10-19,26H,7-9,20-25,27H2,1-6H3/t39-,40+/m0/s1 | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444371
(CHEMBL3094456)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCN)c3ccccc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C26H25ClN6O4/c1-37-26-29-14-17-12-18(25(36)32-22(17)33-26)24(35)31-21-13-16(9-10-19(21)27)23(34)30-20(8-5-11-28)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14,20H,5,8,11,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227520
(US9334278, I-9)Show SMILES Cc1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)[nH]n1 Show InChI InChI=1S/C15H19N7O/c1-8-5-10(22-21-8)18-11-7-17-13-12(19-11)9(6-16-13)14(23)20-15(2,3)4/h5-7H,1-4H3,(H,16,17)(H,20,23)(H2,18,19,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50328256
(5-(2-fluorophenyl)-2,10-dihydrobenzo[e]pyrazolo[4,...)Show SMILES Fc1ccccc1C1=Nc2cn[nH]c2Nc2ccc(cc12)C#N |t:8| Show InChI InChI=1S/C17H10FN5/c18-13-4-2-1-3-11(13)16-12-7-10(8-19)5-6-14(12)22-17-15(21-16)9-20-23-17/h1-7,9H,(H2,20,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2-cyclin E |
Bioorg Med Chem Lett 20: 5984-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.079
BindingDB Entry DOI: 10.7270/Q21C1X42 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227521
(US9334278, I-10)Show InChI InChI=1S/C16H18N6O/c1-16(2,3)22-15(23)11-8-18-14-13(11)21-12(9-19-14)20-10-5-4-6-17-7-10/h4-9H,1-3H3,(H,18,19)(H,20,21)(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 16.3 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50328279
(5-(2-fluorophenyl)-2,10-dihydrobenzo[e]pyrazolo[4,...)Show SMILES NC(=O)c1ccc2Nc3[nH]ncc3N=C(c3ccccc3F)c2c1 |t:14| Show InChI InChI=1S/C17H12FN5O/c18-12-4-2-1-3-10(12)15-11-7-9(16(19)24)5-6-13(11)22-17-14(21-15)8-20-23-17/h1-8H,(H2,19,24)(H2,20,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2-cyclin E |
Bioorg Med Chem Lett 20: 5984-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.079
BindingDB Entry DOI: 10.7270/Q21C1X42 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444367
(CHEMBL3094460)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c3ccccc3)c(=O)[nH]c2n1 |r| Show InChI InChI=1S/C25H23ClN6O4/c1-36-25-28-13-16-11-17(24(35)31-21(16)32-25)23(34)30-20-12-15(7-8-18(20)26)22(33)29-19(9-10-27)14-5-3-2-4-6-14/h2-8,11-13,19H,9-10,27H2,1H3,(H,29,33)(H,30,34)(H,28,31,32,35)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227517
(US9334278, I-6)Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 Show InChI InChI=1S/C17H20N6O/c1-10-5-6-11(7-18-10)21-13-9-20-15-14(22-13)12(8-19-15)16(24)23-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 17.1 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227542
(US9334278, I-31)Show SMILES Cc1nsc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)n1 Show InChI InChI=1S/C14H17N7OS/c1-7-17-13(23-21-7)19-9-6-16-11-10(18-9)8(5-15-11)12(22)20-14(2,3)4/h5-6H,1-4H3,(H,15,16)(H,20,22)(H,17,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444357
(CHEMBL3094438)Show SMILES Cc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3ccccc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C25H23ClN6O3/c1-14-28-13-17-11-18(25(35)32-22(17)29-14)24(34)31-21-12-16(7-8-19(21)26)23(33)30-20(9-10-27)15-5-3-2-4-6-15/h2-8,11-13,20H,9-10,27H2,1H3,(H,30,33)(H,31,34)(H,28,29,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434283
(CHEMBL2386350)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C40H49Cl2N5O4/c1-7-51-34-26-30(38(2,3)4)12-17-33(34)36-43-39(5,28-8-13-31(41)14-9-28)40(6,29-10-15-32(42)16-11-29)47(36)37(49)46-20-18-44(19-21-46)27-35(48)45-22-24-50-25-23-45/h8-17,26H,7,18-25,27H2,1-6H3/t39-,40+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434287
(CHEMBL2386346)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227538
(US9334278, I-27)Show SMILES CC(N)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 18.8 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50328267
(5-(2-chlorophenyl)-7-nitro-3-(1H-pyrrol-2-yl)-2,10...)Show SMILES [O-][N+](=O)c1ccc2Nc3[nH]nc(-c4ccc[nH]4)c3N=C(c3ccccc3Cl)c2c1 |t:20| Show InChI InChI=1S/C20H13ClN6O2/c21-14-5-2-1-4-12(14)17-13-10-11(27(28)29)7-8-15(13)23-20-19(24-17)18(25-26-20)16-6-3-9-22-16/h1-10,22H,(H2,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2-cyclin E |
Bioorg Med Chem Lett 20: 5984-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.079
BindingDB Entry DOI: 10.7270/Q21C1X42 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444371
(CHEMBL3094456)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCN)c3ccccc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C26H25ClN6O4/c1-37-26-29-14-17-12-18(25(36)32-22(17)33-26)24(35)31-21-13-16(9-10-19(21)27)23(34)30-20(8-5-11-28)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14,20H,5,8,11,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227514
(US9334278, I-3)Show SMILES Cn1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)n1 Show InChI InChI=1S/C15H19N7O/c1-15(2,3)20-14(23)9-7-16-13-12(9)19-11(8-17-13)18-10-5-6-22(4)21-10/h5-8H,1-4H3,(H,16,17)(H,20,23)(H,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 21.1 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444379
(CHEMBL3094448)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1 Show InChI InChI=1S/C23H17Cl2N5O4/c1-34-23-27-11-14-8-16(22(33)29-19(14)30-23)21(32)28-18-9-13(5-6-17(18)25)20(31)26-10-12-3-2-4-15(24)7-12/h2-9,11H,10H2,1H3,(H,26,31)(H,28,32)(H,27,29,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434289
(CHEMBL2386344)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCC(F)(F)F)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C37H43Cl2F3N4O2/c1-7-48-31-24-27(34(2,3)4)12-17-30(31)32-43-35(5,25-8-13-28(38)14-9-25)36(6,26-10-15-29(39)16-11-26)46(32)33(47)45-22-20-44(21-23-45)19-18-37(40,41)42/h8-17,24H,7,18-23H2,1-6H3/t35-,36+/m0/s1 | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434290
(CHEMBL2386343)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CC1)C(C)=O)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C36H42Cl2N4O3/c1-8-45-31-23-27(34(3,4)5)13-18-30(31)32-39-35(6,25-9-14-28(37)15-10-25)36(7,26-11-16-29(38)17-12-26)42(32)33(44)41-21-19-40(20-22-41)24(2)43/h9-18,23H,8,19-22H2,1-7H3/t35-,36+/m0/s1 | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50328280
(CHEMBL1258022 | N-(5-(2-chlorophenyl)-2,10-dihydro...)Show SMILES CS(=O)(=O)Nc1ccc2Nc3[nH]ncc3N=C(c3ccccc3Cl)c2c1 |t:16| Show InChI InChI=1S/C17H14ClN5O2S/c1-26(24,25)23-10-6-7-14-12(8-10)16(11-4-2-3-5-13(11)18)20-15-9-19-22-17(15)21-14/h2-9,23H,1H3,(H2,19,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2-cyclin E |
Bioorg Med Chem Lett 20: 5984-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.079
BindingDB Entry DOI: 10.7270/Q21C1X42 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CHK2 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227533
(US9334278, I-22)Show SMILES Cc1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)on1 Show InChI InChI=1S/C15H18N6O2/c1-8-5-11(23-21-8)18-10-7-17-13-12(19-10)9(6-16-13)14(22)20-15(2,3)4/h5-7H,1-4H3,(H,16,17)(H,18,19)(H,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444359
(CHEMBL3094436)Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CCC(N)CC2)c1)c1ccccc1 Show InChI InChI=1S/C29H31ClN8O3/c30-22-7-6-18(26(39)34-23(8-11-31)17-4-2-1-3-5-17)15-24(22)35-27(40)21-14-19-16-33-29(37-25(19)36-28(21)41)38-12-9-20(32)10-13-38/h1-7,14-16,20,23H,8-13,31-32H2,(H,34,39)(H,35,40)(H,33,36,37,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50434288
(CHEMBL2386345)Show SMILES CCOc1cc(ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCO)CC1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C36H44Cl2N4O3/c1-7-45-31-24-27(34(2,3)4)12-17-30(31)32-39-35(5,25-8-13-28(37)14-9-25)36(6,26-10-15-29(38)16-11-26)42(32)33(44)41-20-18-40(19-21-41)22-23-43/h8-17,24,43H,7,18-23H2,1-6H3/t35-,36+/m0/s1 | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657
BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK [360-635]
(Homo sapiens (Human)) | BDBM227513
(US9334278, I-2)Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)nc1 Show InChI InChI=1S/C17H20N6O2/c1-10-4-5-12(18-6-10)21-13-8-20-15-14(22-13)11(7-19-15)16(25)23-17(2,3)9-24/h4-8,24H,9H2,1-3H3,(H,19,20)(H,23,25)(H,18,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 27.4 | n/a | n/a | n/a | n/a | n/a | 30 |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,... |
US Patent US9334278 (2016)
BindingDB Entry DOI: 10.7270/Q2JD4VN3 |
More data for this
Ligand-Target Pair | |
Search and Browse
