Found 2005 hits with Last Name = 'bower' and Initial = 's' 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 |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of Rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481056
(CHEMBL572032)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)C#N Show InChI InChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-6-15(7-5-14)31(29,30)28-18-9-12(10-25)1-8-16(18)19-17(11-26-27-19)20(28)13-2-3-13/h1,4-9,11,13,20H,2-3H2,(H,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481062
(CHEMBL583904)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12 Show InChI InChI=1S/C19H16ClN3O2S/c20-13-7-9-14(10-8-13)26(24,25)23-17-4-2-1-3-15(17)18-16(11-21-22-18)19(23)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481086
(CHEMBL571602)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-c1cncnc1 Show InChI InChI=1S/C24H18F3N5O2S/c25-24(26,27)17-4-6-18(7-5-17)35(33,34)32-21-9-15(16-10-28-13-29-11-16)3-8-19(21)22-20(12-30-31-22)23(32)14-1-2-14/h3-14,23H,1-2H2,(H,30,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481087
(CHEMBL571145)Show SMILES FC(F)(F)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H11ClF3N3O2S/c18-10-5-7-11(8-6-10)27(25,26)24-14-4-2-1-3-12(14)15-13(9-22-23-15)16(24)17(19,20)21/h1-9,16H,(H,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481063
(CHEMBL583662)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-n1ccnc1 Show InChI InChI=1S/C23H18F3N5O2S/c24-23(25,26)15-3-6-17(7-4-15)34(32,33)31-20-11-16(30-10-9-27-13-30)5-8-18(20)21-19(12-28-29-21)22(31)14-1-2-14/h3-14,22H,1-2H2,(H,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481055
(CHEMBL571821)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(I)cc12 Show InChI InChI=1S/C20H15F3IN3O2S/c21-20(22,23)12-3-6-14(7-4-12)30(28,29)27-17-9-13(24)5-8-15(17)18-16(10-25-26-18)19(27)11-1-2-11/h3-11,19H,1-2H2,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481089
(CHEMBL584330)Show SMILES COC(=O)c1ccc2-c3n[nH]cc3C(C3CC3)N(c2c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O4S/c1-32-21(29)13-4-9-16-18(10-13)28(20(12-2-3-12)17-11-26-27-19(16)17)33(30,31)15-7-5-14(6-8-15)22(23,24)25/h4-12,20H,2-3H2,1H3,(H,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481058
(CHEMBL570694)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)N1CCOC1=O Show InChI InChI=1S/C23H19F3N4O4S/c24-23(25,26)14-3-6-16(7-4-14)35(32,33)30-19-11-15(29-9-10-34-22(29)31)5-8-17(19)20-18(12-27-28-20)21(30)13-1-2-13/h3-8,11-13,21H,1-2,9-10H2,(H,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481061
(CHEMBL570379)Show SMILES CC(C)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O2S/c1-12(2)19-16-11-21-22-18(16)15-5-3-4-6-17(15)23(19)26(24,25)14-9-7-13(20)8-10-14/h3-12,19H,1-2H3,(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481081
(CHEMBL584956)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12 Show InChI InChI=1S/C20H16F3N3O2S/c21-20(22,23)13-7-9-14(10-8-13)29(27,28)26-17-4-2-1-3-15(17)18-16(11-24-25-18)19(26)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,24,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481070
(CHEMBL571591)Show SMILES CCC1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClN3O2S/c1-2-16-15-11-20-21-18(15)14-5-3-4-6-17(14)22(16)25(23,24)13-9-7-12(19)8-10-13/h3-11,16H,2H2,1H3,(H,20,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481068
(CHEMBL584113)Show SMILES Fc1ccc2N(C(C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H15F4N3O3S/c21-12-3-8-17-15(9-12)18-16(10-25-26-18)19(11-1-2-11)27(17)31(28,29)14-6-4-13(5-7-14)30-20(22,23)24/h3-11,19H,1-2H2,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481064
(CHEMBL585713)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-c1cscn1 Show InChI InChI=1S/C23H17F3N4O2S2/c24-23(25,26)15-4-6-16(7-5-15)34(31,32)30-20-9-14(19-11-33-12-27-19)3-8-17(20)21-18(10-28-29-21)22(30)13-1-2-13/h3-13,22H,1-2H2,(H,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481043
(CHEMBL583660)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12 Show InChI InChI=1S/C19H16FN3O2S/c20-13-7-9-14(10-8-13)26(24,25)23-17-4-2-1-3-15(17)18-16(11-21-22-18)19(23)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481069
(CHEMBL571175)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(Cl)cc12 Show InChI InChI=1S/C20H15ClF3N3O2S/c21-13-5-8-15-17(9-13)27(19(11-1-2-11)16-10-25-26-18(15)16)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481075
(CHEMBL571817)Show SMILES Fc1cc2N(C(C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ncc(Cl)s1 Show InChI InChI=1S/C16H11ClF2N4O2S2/c17-13-6-20-16(26-13)27(24,25)23-12-4-11(19)10(18)3-8(12)14-9(5-21-22-14)15(23)7-1-2-7/h3-7,15H,1-2H2,(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM282619
(US9884828, 2-114)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(nnc2c1)C(N)=O Show InChI InChI=1S/C18H16N4O2/c1-22(2)18(24)12-5-3-11(4-6-12)13-7-8-14-10-16(17(19)23)21-20-15(14)9-13/h3-10H,1-2H3,(H2,19,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Imago Pharmaceuticals, Inc.
US Patent
| Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v... |
US Patent US9884828 (2018)
BindingDB Entry DOI: 10.7270/Q2NG4SNW |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481048
(CHEMBL584115)Show SMILES Fc1cc2N(C(C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C17H12ClF2N3O2S2/c18-14-3-4-15(26-14)27(24,25)23-13-6-12(20)11(19)5-9(13)16-10(7-21-22-16)17(23)8-1-2-8/h3-8,17H,1-2H2,(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481154
(CHEMBL570980)Show SMILES CC#CC1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |TLB:2:3:14:6.11.7,THB:10:11:4.3.13:14| Show InChI InChI=1S/C18H18ClN3O2S/c1-2-3-12-8-14-10-17-16(11-20-21-17)18(9-12)22(14)25(23,24)15-6-4-13(19)5-7-15/h4-7,11-12,14,18H,8-10H2,1H3,(H,20,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA |
Bioorg Med Chem Lett 19: 6952-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481088
(CHEMBL568891)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)N1CCOCC1 Show InChI InChI=1S/C24H23F3N4O3S/c25-24(26,27)16-3-6-18(7-4-16)35(32,33)31-21-13-17(30-9-11-34-12-10-30)5-8-19(21)22-20(14-28-29-22)23(31)15-1-2-15/h3-8,13-15,23H,1-2,9-12H2,(H,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481065
(CHEMBL571818)Show SMILES C[C@H]1N(c2ccc(F)cc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H13ClFN3O2S/c1-10-15-9-20-21-17(15)14-8-12(19)4-7-16(14)22(10)25(23,24)13-5-2-11(18)3-6-13/h2-10H,1H3,(H,20,21)/t10-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481054
(CHEMBL583674)Show SMILES CC1N(c2cc(O)ccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O3S/c1-10-15-9-19-20-17(15)14-7-4-12(22)8-16(14)21(10)25(23,24)13-5-2-11(18)3-6-13/h2-10,22H,1H3,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481079
(CHEMBL585538)Show SMILES Fc1ccc2N([C@H](C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F4N4O2S/c20-12-4-5-15-13(7-12)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)16-6-3-11(8-24-16)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)/t18-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481067
(CHEMBL571387)Show SMILES O=S(=O)(N1C(C2CC2)c2c[nH]nc2-c2ccccc12)c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N4O2S/c21-11-13-5-9-15(10-6-13)27(25,26)24-18-4-2-1-3-16(18)19-17(12-22-23-19)20(24)14-7-8-14/h1-6,9-10,12,14,20H,7-8H2,(H,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481148
(CHEMBL570752)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)C#C |TLB:17:16:12.13.14:10,THB:22:13:10:21.16.20| Show InChI InChI=1S/C17H16ClN3O2S/c1-2-11-7-13-9-16-15(10-19-20-16)17(8-11)21(13)24(22,23)14-5-3-12(18)4-6-14/h1,3-6,10-11,13,17H,7-9H2,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA |
Bioorg Med Chem Lett 19: 6952-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481045
(CHEMBL569570)Show SMILES FC(F)Oc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2cc(F)ccc12 Show InChI InChI=1S/C20H16F3N3O3S/c21-12-3-8-17-15(9-12)18-16(10-24-25-18)19(11-1-2-11)26(17)30(27,28)14-6-4-13(5-7-14)29-20(22)23/h3-11,19-20H,1-2H2,(H,24,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481057
(CHEMBL571822)Show SMILES CC1N(c2cc(OC(=O)N(C)C)ccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H19ClN4O4S/c1-12-17-11-22-23-19(17)16-9-6-14(29-20(26)24(2)3)10-18(16)25(12)30(27,28)15-7-4-13(21)5-8-15/h4-12H,1-3H3,(H,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50352624
(CHEMBL1822305 | US9796706, Compound 139)Show SMILES Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12 Show InChI InChI=1S/C17H15BrN6O2S/c1-23-9-20-16(22-23)15-10(18)8-27-17(15)21-13(25)7-24-12-3-2-6-19-11(12)4-5-14(24)26/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 21: 5521-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.100 BindingDB Entry DOI: 10.7270/Q29Z959K |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM282670
(US9884828, 9-213)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOC1=O)C(N)=O)C1CC1 Show InChI InChI=1S/C23H23N5O3/c1-13(14-2-3-14)25-20-18-9-6-16(12-19(18)26-27-21(20)22(24)29)15-4-7-17(8-5-15)28-10-11-31-23(28)30/h4-9,12-14H,2-3,10-11H2,1H3,(H2,24,29)(H,25,26)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Imago Pharmaceuticals, Inc.
US Patent
| Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v... |
US Patent US9884828 (2018)
BindingDB Entry DOI: 10.7270/Q2NG4SNW |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM282625
(US9884828, 2-120)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2CC(=O)Nc2c1)C(N)=O)C1CC1 Show InChI InChI=1S/C22H21N5O2/c1-11(12-2-3-12)24-20-16-7-6-14(9-18(16)26-27-21(20)22(23)29)13-4-5-15-10-19(28)25-17(15)8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Imago Pharmaceuticals, Inc.
US Patent
| Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v... |
US Patent US9884828 (2018)
BindingDB Entry DOI: 10.7270/Q2NG4SNW |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM282616
(US9884828, 2-111)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc(c1)S(C)(=O)=O)C(N)=O)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c1-12(13-6-7-13)23-19-17-9-8-15(11-18(17)24-25-20(19)21(22)26)14-4-3-5-16(10-14)29(2,27)28/h3-5,8-13H,6-7H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Imago Pharmaceuticals, Inc.
US Patent
| Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v... |
US Patent US9884828 (2018)
BindingDB Entry DOI: 10.7270/Q2NG4SNW |
More data for this Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM282606
(US9884828, 2-101)Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O)C1CC1 Show InChI InChI=1S/C18H20N6O/c1-10(11-3-4-11)21-16-14-6-5-12(13-8-20-24(2)9-13)7-15(14)22-23-17(16)18(19)25/h5-11H,3-4H2,1-2H3,(H2,19,25)(H,21,22)/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Imago Pharmaceuticals, Inc.
US Patent
| Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v... |
US Patent US9884828 (2018)
BindingDB Entry DOI: 10.7270/Q2NG4SNW |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481164
(CHEMBL585911)Show SMILES FC(F)(F)\C=C\C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |TLB:5:6:17:9.14.10,THB:13:14:7.6.16:17| Show InChI InChI=1S/C18H17ClF3N3O2S/c19-12-1-3-14(4-2-12)28(26,27)25-13-7-11(5-6-18(20,21)22)8-17(25)15-10-23-24-16(15)9-13/h1-6,10-11,13,17H,7-9H2,(H,23,24)/b6-5+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA |
Bioorg Med Chem Lett 19: 6952-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481147
(CHEMBL585542)Show SMILES Cl\C=C\C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |TLB:2:3:14:6.11.7,THB:10:11:4.3.13:14| Show InChI InChI=1S/C17H17Cl2N3O2S/c18-6-5-11-7-13-9-16-15(10-20-21-16)17(8-11)22(13)25(23,24)14-3-1-12(19)2-4-14/h1-6,10-11,13,17H,7-9H2,(H,20,21)/b6-5+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA |
Bioorg Med Chem Lett 19: 6952-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.060 BindingDB Entry DOI: 10.7270/Q2N87DKH |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50352621
(CHEMBL1822152)Show SMILES Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-5-10(6-20)1-2-11(13)3-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 21: 5521-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.100 BindingDB Entry DOI: 10.7270/Q29Z959K |
More data for this Ligand-Target Pair | |
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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50438363
(CHEMBL2408751)Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu... |
Bioorg Med Chem Lett 23: 4674-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50352620
(CHEMBL1822151)Show SMILES Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 21: 5521-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.100 BindingDB Entry DOI: 10.7270/Q29Z959K |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481084
(CHEMBL570471)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2cccnc12 Show InChI InChI=1S/C19H15F3N4O2S/c20-19(21,22)12-5-7-13(8-6-12)29(27,28)26-17(11-3-4-11)15-10-24-25-16(15)14-2-1-9-23-18(14)26/h1-2,5-11,17H,3-4H2,(H,24,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481060
(CHEMBL571590)Show SMILES CC1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClN3O2S/c1-11-15-10-19-20-17(15)14-4-2-3-5-16(14)21(11)24(22,23)13-8-6-12(18)7-9-13/h2-11H,1H3,(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481083
(CHEMBL584536)Show SMILES Fc1ccc2N(C(C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(Cl)cn1 Show InChI InChI=1S/C18H14ClFN4O2S/c19-11-3-6-16(21-8-11)27(25,26)24-15-5-4-12(20)7-13(15)17-14(9-22-23-17)18(24)10-1-2-10/h3-10,18H,1-2H2,(H,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481082
(CHEMBL571173)Show SMILES CC1N(c2cccc(F)c2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClFN3O2S/c1-10-13-9-20-21-17(13)16-14(19)3-2-4-15(16)22(10)25(23,24)12-7-5-11(18)6-8-12/h2-10H,1H3,(H,20,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481078
(CHEMBL572033)Show SMILES CC1N(c2cc(OCc3ccccc3)ccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClN3O3S/c1-16-22-14-26-27-24(22)21-12-9-19(31-15-17-5-3-2-4-6-17)13-23(21)28(16)32(29,30)20-10-7-18(25)8-11-20/h2-14,16H,15H2,1H3,(H,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50481071
(CHEMBL571172)Show SMILES CC1N(c2ccc(F)cc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClFN3O2S/c1-10-15-9-20-21-17(15)14-8-12(19)4-7-16(14)22(10)25(23,24)13-5-2-11(18)3-6-13/h2-10H,1H3,(H,20,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay |
Bioorg Med Chem Lett 19: 4920-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.092 BindingDB Entry DOI: 10.7270/Q2DR2ZBR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM16016
(CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...)Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1 Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 21: 315-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |