Found 133 hits with Last Name = 'santiago' 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 |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428701
(CHEMBL2333115 | US9884828, 2-127)Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428716
(CHEMBL2333128 | US9884828, 2-41)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428717
(CHEMBL2333127 | US9884828, 2-37)Show SMILES CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O |r| Show InChI InChI=1S/C20H22N4O3S/c1-4-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(21)25)13-5-8-15(9-6-13)28(3,26)27/h5-12H,4H2,1-3H3,(H2,21,25)(H,22,23)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428703
(CHEMBL2333113 | US9884828, 2-100)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in presence of NADPH |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428698
(CHEMBL2333118 | US9884828, 2-35)Show InChI InChI=1S/C16H18N6O/c1-9(2)19-14-12-5-4-10(11-7-18-22(3)8-11)6-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428696
(CHEMBL2333120)Show InChI InChI=1S/C16H21N5O2/c1-10(2)18-14-12-4-3-11(21-5-7-23-8-6-21)9-13(12)19-20-15(14)16(17)22/h3-4,9-10H,5-8H2,1-2H3,(H2,17,22)(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428715
(CHEMBL2333129 | US9884828, 2-19)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-8-5-12(6-9-15)13-7-10-16-17(11-13)23-24-19(20(21)25)18(16)22-14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,21,25)(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50428718
(CHEMBL2333126 | US9884828, 2-17)Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CSF1R (unknown origin) by TR-FRET assay in presence of ATP |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428700
(CHEMBL2333116 | US9884828, 2-53)Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-4-3-9(10-6-17-18-7-10)5-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428695
(CHEMBL2333121)Show InChI InChI=1S/C15H15N5OS/c1-8(2)18-13-11-4-3-9(10-6-17-22-7-10)5-12(11)19-20-14(13)15(16)21/h3-8H,1-2H3,(H2,16,21)(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428704
(CHEMBL2333112 | US9884828, 2-31)Show InChI InChI=1S/C17H17N5O/c1-10(2)20-15-13-4-3-12(11-5-7-19-8-6-11)9-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428718
(CHEMBL2333126 | US9884828, 2-17)Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50428716
(CHEMBL2333128 | US9884828, 2-41)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CSF1R (unknown origin) by TR-FRET assay in presence of ATP |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428714
(CHEMBL2333130 | US9884828, 2-92)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NCC3CC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-7-4-13(5-8-15)14-6-9-16-17(10-14)23-24-19(20(21)25)18(16)22-11-12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H2,21,25)(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428710
(CHEMBL2333134 | US9884828, 2-23)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C20H20N4O4S/c1-29(26,27)15-5-2-12(3-6-15)13-4-7-16-17(10-13)23-24-19(20(21)25)18(16)22-14-8-9-28-11-14/h2-7,10,14H,8-9,11H2,1H3,(H2,21,25)(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50302838
(CHEMBL572081 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1 | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50428715
(CHEMBL2333129 | US9884828, 2-19)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-8-5-12(6-9-15)13-7-10-16-17(11-13)23-24-19(20(21)25)18(16)22-14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,21,25)(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50428696
(CHEMBL2333120)Show InChI InChI=1S/C16H21N5O2/c1-10(2)18-14-12-4-3-11(21-5-7-23-8-6-21)9-13(12)19-20-15(14)16(17)22/h3-4,9-10H,5-8H2,1-2H3,(H2,17,22)(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CSF1R (unknown origin) by TR-FRET assay in presence of ATP |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428712
(CHEMBL2333132 | US9884828, 2-25)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOCC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C21H22N4O4S/c1-30(27,28)16-5-2-13(3-6-16)14-4-7-17-18(12-14)24-25-20(21(22)26)19(17)23-15-8-10-29-11-9-15/h2-7,12,15H,8-11H2,1H3,(H2,22,26)(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50302841
(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428702
(CHEMBL2333114 | US9884828, 2-126)Show InChI InChI=1S/C17H17N5O/c1-10(2)20-15-13-9-12(11-5-7-19-8-6-11)3-4-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432045
(CHEMBL2348963)Show InChI InChI=1S/C14H8ClN5S2/c15-9-2-1-3-10(6-9)22-13-5-4-12-17-18-14(20(12)19-13)11-7-16-8-21-11/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432046
(CHEMBL2348962)Show InChI InChI=1S/C14H8BrN5S2/c15-9-2-1-3-10(6-9)22-13-5-4-12-17-18-14(20(12)19-13)11-7-16-8-21-11/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428719
(CHEMBL2333125)Show SMILES CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C20H21N3O3S/c1-12(2)23-19-16-9-6-14(10-18(16)22-11-17(19)20(21)24)13-4-7-15(8-5-13)27(3,25)26/h4-12H,1-3H3,(H2,21,24)(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in presence of NADPH |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428713
(CHEMBL2333131 | US9884828, 2-93)Show SMILES CCNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C18H18N4O3S/c1-3-20-16-14-9-6-12(10-15(14)21-22-17(16)18(19)23)11-4-7-13(8-5-11)26(2,24)25/h4-10H,3H2,1-2H3,(H2,19,23)(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50302841
(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428711
(CHEMBL2333133 | US9884828, 2-29)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C19H18N4O3S/c1-27(25,26)14-7-2-11(3-8-14)12-4-9-15-16(10-12)22-23-18(19(20)24)17(15)21-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H2,20,24)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432065
(CHEMBL2348944)Show SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1 Show InChI InChI=1S/C15H9F3N6S/c16-15(17,18)9-2-1-3-10(8-9)25-13-5-4-12-21-22-14(24(12)23-13)11-6-7-19-20-11/h1-8H,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428697
(CHEMBL2333119 | US9884828, 4-188)Show InChI InChI=1S/C17H24N6O/c1-11(2)19-15-13-5-4-12(23-8-6-22(3)7-9-23)10-14(13)20-21-16(15)17(18)24/h4-5,10-11H,6-9H2,1-3H3,(H2,18,24)(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50428716
(CHEMBL2333128 | US9884828, 2-41)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50302838
(CHEMBL572081 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50302839
(CHEMBL570556 | N-((2S,3R)-4-(4-(3-tert-butylphenyl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C27H36F2N2O3/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(8-10-34-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30,33H,8-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432064
(CHEMBL2348945)Show InChI InChI=1S/C15H8F3N5S2/c16-15(17,18)9-2-1-3-10(6-9)25-13-5-4-12-20-21-14(23(12)22-13)11-7-19-8-24-11/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432042
(CHEMBL2348966)Show InChI InChI=1S/C18H17N5S2/c1-18(2,3)12-5-4-6-13(9-12)25-16-8-7-15-20-21-17(23(15)22-16)14-10-19-11-24-14/h4-11H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432071
(CHEMBL2348938)Show InChI InChI=1S/C16H9F3N4S2/c17-16(18,19)10-3-1-4-11(9-10)25-14-7-6-13-20-21-15(23(13)22-14)12-5-2-8-24-12/h1-9H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432066
(CHEMBL2348943)Show InChI InChI=1S/C14H13N3O2S2/c1-9(14(18)19-2)21-13-6-5-12-15-8-10(17(12)16-13)11-4-3-7-20-11/h3-9H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50323493
(CHEMBL1209106 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,27+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432063
(CHEMBL2348946)Show InChI InChI=1S/C15H8F3N5S2/c16-15(17,18)9-2-1-3-10(8-9)25-12-5-4-11-20-21-13(23(11)22-12)14-19-6-7-24-14/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432037
(CHEMBL2348971)Show InChI InChI=1S/C12H11N5OS2/c1-7(11(13)18)20-10-5-4-9-14-15-12(17(9)16-10)8-3-2-6-19-8/h2-7H,1H3,(H2,13,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432070
(CHEMBL2348939)Show InChI InChI=1S/C17H10F3N3S2/c18-17(19,20)11-3-1-4-12(9-11)25-16-7-6-15-21-10-13(23(15)22-16)14-5-2-8-24-14/h1-10H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328786
(CHEMBL1269840 | N-((2S,3R)-4-(4-(3-(1H-pyrazol-1-y...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C26H30F2N4O3/c1-18(33)31-24(14-19-12-21(27)16-22(28)13-19)25(34)17-29-26(6-10-35-11-7-26)20-4-2-5-23(15-20)32-9-3-8-30-32/h2-5,8-9,12-13,15-16,24-25,29,34H,6-7,10-11,14,17H2,1H3,(H,31,33)/t24-,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 by competitive inhibition assay |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432040
(CHEMBL2348968)Show InChI InChI=1S/C12H7N7S2/c1-4-14-12(15-5-1)21-10-3-2-9-16-17-11(19(9)18-10)8-6-13-7-20-8/h1-7H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428709
(CHEMBL2333135 | US9884828, 2-94)Show SMILES CNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C17H16N4O3S/c1-19-15-13-8-5-11(9-14(13)20-21-16(15)17(18)22)10-3-6-12(7-4-10)25(2,23)24/h3-9H,1-2H3,(H2,18,22)(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50428706
(CHEMBL2333138 | US9884828, 2-136)Show InChI InChI=1S/C17H17N5O2/c18-17(24)16-15(20-6-1-9-23)13-3-2-12(10-14(13)21-22-16)11-4-7-19-8-5-11/h2-5,7-8,10,23H,1,6,9H2,(H2,18,24)(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory... |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50428718
(CHEMBL2333126 | US9884828, 2-17)Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C19H20N4O3S/c1-11(2)21-17-15-9-6-13(10-16(15)22-23-18(17)19(20)24)12-4-7-14(8-5-12)27(3,25)26/h4-11H,1-3H3,(H2,20,24)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP |
Bioorg Med Chem Lett 23: 71-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50432043
(CHEMBL2348965)Show InChI InChI=1S/C15H11N5OS2/c1-21-10-3-2-4-11(7-10)23-14-6-5-13-17-18-15(20(13)19-14)12-8-16-9-22-12/h2-9H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 23: 1967-73 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.043 BindingDB Entry DOI: 10.7270/Q2P84D8N |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328050
(CHEMBL1257303 | N-((2S,3R)-4-(1-(3-tert-butylpheny...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C25H32F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(8-9-25)19-7-5-6-18(13-19)24(2,3)4/h5-7,10-11,13-14,22-23,28,31H,8-9,12,15H2,1-4H3,(H,29,30)/t22-,23+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this Ligand-Target Pair | |