Found 283 hits with Last Name = 'reid' and Initial = 'pr' 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 |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271750
(CHEMBL4126095)Show SMILES Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-16-21(34-15-12-31-10-13-33-14-11-31)6-7-22(18)25-17-24-23(8-9-29-27(24)30-25)19-2-4-20(5-3-19)26(28)32/h2-9,16-17H,10-15H2,1H3,(H2,28,32)(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271748
(CHEMBL4128577)Show SMILES COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1 Show InChI InChI=1S/C26H25N3O2/c1-31-24-9-5-4-8-20(24)23-15-22-18(12-13-28-26(22)29-23)17-10-11-19(25(27)30)21(14-17)16-6-2-3-7-16/h4-5,8-16H,2-3,6-7H2,1H3,(H2,27,30)(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271775
(CHEMBL4129590)Show SMILES COc1ccccc1Nc1nccc(n1)-c1ccc(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H21N3O3/c1-13(2)16-12-14(8-9-15(16)20(25)26)17-10-11-22-21(23-17)24-18-6-4-5-7-19(18)27-3/h4-13H,1-3H3,(H,25,26)(H,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271747
(CHEMBL4127245)Show SMILES CC(C)c1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C23H20N2O2/c1-14(2)19-10-16(8-9-18(19)23(26)27)21-13-25-22-20(21)11-17(12-24-22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,25)(H,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415825
(CHEMBL1091034)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(CN(Cc2ccc(F)cc2Cl)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C27H23ClFNO4S2/c1-35(31,32)26-9-5-6-22(16-26)21-12-10-20(11-13-21)18-30(19-23-14-15-24(29)17-27(23)28)36(33,34)25-7-3-2-4-8-25/h2-17H,18-19H2,1H3 | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415821
(CHEMBL1093554)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C27H23ClFNO4S2/c1-35(31,32)24-10-5-7-22(17-24)21-15-13-20(14-16-21)18-30(19-25-26(28)11-6-12-27(25)29)36(33,34)23-8-3-2-4-9-23/h2-17H,18-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415820
(CHEMBL1093840)Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(CN(Cc2c(F)cccc2Cl)S(=O)(=O)C2CC2)cc1 Show InChI InChI=1S/C24H23ClFNO4S2/c1-32(28,29)21-5-2-4-19(14-21)18-10-8-17(9-11-18)15-27(33(30,31)20-12-13-20)16-22-23(25)6-3-7-24(22)26/h2-11,14,20H,12-13,15-16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271734
(CHEMBL4128540)Show SMILES CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C Show InChI InChI=1S/C30H32N4O2/c1-20(2)27-17-22(4-5-23(27)19-31)26-8-9-32-30-28(26)18-29(33-30)25-7-6-24(16-21(25)3)36-15-12-34-10-13-35-14-11-34/h4-9,16-18,20H,10-15H2,1-3H3,(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19992
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271738
(CHEMBL4129219)Show SMILES COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H20FN3O3/c1-12(2)15-10-13(8-9-14(15)20(26)27)19-16(22)11-23-21(25-19)24-17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H,26,27)(H,23,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271780
(CHEMBL4126511)Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C Show InChI InChI=1S/C30H34N4O3/c1-19(2)26-17-21(4-6-25(26)29(31)35)24-8-9-32-30-27(24)18-28(33-30)23-7-5-22(16-20(23)3)37-15-12-34-10-13-36-14-11-34/h4-9,16-19H,10-15H2,1-3H3,(H2,31,35)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50296011
(2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin...)Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415815
(CHEMBL1092952)Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl Show InChI InChI=1S/C25H23ClFN3O4S2/c1-29-16-25(28-17-29)36(33,34)30(15-22-23(26)7-4-8-24(22)27)14-18-9-11-19(12-10-18)20-5-3-6-21(13-20)35(2,31)32/h3-13,16-17H,14-15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415819
(CHEMBL1091976)Show SMILES Cc1ccccc1S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl Show InChI InChI=1S/C28H25ClFNO4S2/c1-20-7-3-4-12-28(20)37(34,35)31(19-25-26(29)10-6-11-27(25)30)18-21-13-15-22(16-14-21)23-8-5-9-24(17-23)36(2,32)33/h3-17H,18-19H2,1-2H3 | 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271752
(CHEMBL4128114)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271774
(CHEMBL4128459)Show SMILES CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C Show InChI InChI=1S/C29H30N4O/c1-19(2)25-15-22(6-7-23(25)17-30)24-8-9-31-29-27(24)16-28(32-29)26-14-21(5-4-20(26)3)18-33-10-12-34-13-11-33/h4-9,14-16,19H,10-13,18H2,1-3H3,(H,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50271756
(CHEMBL4127319)Show SMILES OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H17N3O2/c27-22(28)18-11-9-17(10-12-18)21-13-14-24-23(26-21)25-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271728
(CHEMBL4127977)Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-4-2-3-15(11-16)19-12-18-17(9-10-23-21(18)24-19)13-5-7-14(8-6-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271744
(CHEMBL4128939)Show SMILES Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-20(16-30-11-13-32-14-12-30)3-2-4-21(17)24-15-23-22(9-10-28-26(23)29-24)18-5-7-19(8-6-18)25(27)31/h2-10,15H,11-14,16H2,1H3,(H2,27,31)(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271751
(CHEMBL4127140)Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-31(2)15-3-13-29-26(33)20-10-6-18(7-11-20)23-16-22-21(12-14-28-25(22)30-23)17-4-8-19(9-5-17)24(27)32/h4-12,14,16H,3,13,15H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271739
(CHEMBL4126740)Show SMILES CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-31(2)14-4-12-29-26(33)20-6-3-5-19(15-20)23-16-22-21(11-13-28-25(22)30-23)17-7-9-18(10-8-17)24(27)32/h3,5-11,13,15-16H,4,12,14H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271740
(CHEMBL4127330)Show SMILES Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-2-3-18(16-30-10-12-32-13-11-30)14-22(17)24-15-23-21(8-9-28-26(23)29-24)19-4-6-20(7-5-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415818
(CHEMBL1093523)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1c(F)cccc1Cl Show InChI InChI=1S/C30H29ClFNO4S2/c1-20-15-21(2)30(22(3)16-20)39(36,37)33(19-27-28(31)9-6-10-29(27)32)18-23-11-13-24(14-12-23)25-7-5-8-26(17-25)38(4,34)35/h5-17H,18-19H2,1-4H3 | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271729
(CHEMBL4128717)Show SMILES Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-21(3-2-4-25(18)34-16-13-31-11-14-33-15-12-31)24-17-23-22(9-10-29-27(23)30-24)19-5-7-20(8-6-19)26(28)32/h2-10,17H,11-16H2,1H3,(H2,28,32)(H,29,30) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271788
(CHEMBL4127064)Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2nc(ccc12)C#N Show InChI InChI=1S/C20H17N3O2/c21-10-14-6-8-15-18(11-22-19(15)23-14)13-5-7-16(20(24)25)17(9-13)12-3-1-2-4-12/h5-9,11-12H,1-4H2,(H,22,23)(H,24,25) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271777
(CHEMBL4129362)Show SMILES COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H17N3O2/c1-26-19-5-3-2-4-16(19)18-12-17-15(10-11-23-21(17)24-18)13-6-8-14(9-7-13)20(22)25/h2-12H,1H3,(H2,22,25)(H,23,24) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50296009
(2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...)Show SMILES CCc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C22H18N2O2/c1-2-14-10-16(8-9-18(14)22(25)26)20-13-24-21-19(20)11-17(12-23-21)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,23,24)(H,25,26) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271755
(CHEMBL4129843)Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cc(ccc2F)-c2ccccc2)n1 Show InChI InChI=1S/C23H17FN4O/c24-19-11-10-18(15-4-2-1-3-5-15)14-21(19)28-23-26-13-12-20(27-23)16-6-8-17(9-7-16)22(25)29/h1-14H,(H2,25,29)(H,26,27,28) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271741
(CHEMBL4129791)Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C Show InChI InChI=1S/C29H32N4O2/c1-18(2)24-15-21(6-7-23(24)28(30)34)22-8-9-31-29-26(22)16-27(32-29)25-14-20(5-4-19(25)3)17-33-10-12-35-13-11-33/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,34)(H,31,32) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271778
(CHEMBL4130310)Show SMILES Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-14-18(16-30-10-12-32-13-11-30)2-7-21(17)24-15-23-22(8-9-28-26(23)29-24)19-3-5-20(6-4-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271745
(CHEMBL4126566)Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H18N4O/c24-22(28)18-11-9-17(10-12-18)21-13-14-25-23(27-21)26-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H2,24,28)(H,25,26,27) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271776
(CHEMBL4125907)Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-3-5-17(6-4-15)21-13-20-19(11-12-25-23(20)26-21)16-7-9-18(10-8-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50296010
(2-isobutyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-...)Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50271752
(CHEMBL4128114)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24) | PDB
Reactome pathway KEGG
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DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of IKK1 (unknown origin) |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415816
(CHEMBL1093266 | GSK-2033)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C29H28F3NO5S2/c1-19-14-20(2)28(21(3)15-19)40(36,37)33(18-25-12-13-27(38-25)29(30,31)32)17-22-8-10-23(11-9-22)24-6-5-7-26(16-24)39(4,34)35/h5-16H,17-18H2,1-4H3 | PDB
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271789
(CHEMBL4125686)Show InChI InChI=1S/C19H18N2O2/c22-19(23)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-21-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,20,21)(H,22,23) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Mus musculus) | BDBM50271740
(CHEMBL4127330)Show SMILES Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-2-3-18(16-30-10-12-32-13-11-30)14-22(17)24-15-23-21(8-9-28-26(23)29-24)19-4-6-20(7-5-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271779
(CHEMBL4127479)Show SMILES Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-2-7-21(34-15-12-31-10-13-33-14-11-31)16-23(18)25-17-24-22(8-9-29-27(24)30-25)19-3-5-20(6-4-19)26(28)32/h2-9,16-17H,10-15H2,1H3,(H2,28,32)(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50271745
(CHEMBL4126566)Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H18N4O/c24-22(28)18-11-9-17(10-12-18)21-13-14-25-23(27-21)26-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H2,24,28)(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271730
(CHEMBL4125774)Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-4-3-5-18(12-15)21-13-20-19(10-11-25-23(20)26-21)16-6-8-17(9-7-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19992
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at LXRbeta ligand binding domain assessed as inhibition of T1317-induced transcriptional activity in african green monkey CV1 cel... |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271794
(CHEMBL4126272)Show SMILES OC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C26H18N2O3/c29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20/h1-16H,(H,27,28)(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50271793
(CHEMBL4128483)Show SMILES Cc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c1-13-9-15(7-8-17(13)21(24)25)19-12-23-20-18(19)10-16(11-22-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Mus musculus) | BDBM50271780
(CHEMBL4126511)Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C Show InChI InChI=1S/C30H34N4O3/c1-19(2)26-17-21(4-6-25(26)29(31)35)24-8-9-32-30-27(24)18-28(33-30)23-7-5-22(16-20(23)3)37-15-12-34-10-13-36-14-11-34/h4-9,16-19H,10-15H2,1-3H3,(H2,31,35)(H,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit... |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50271752
(CHEMBL4128114)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of JNK1 (unknown origin) |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50415817
(CHEMBL1093828)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)Cc1ccc(F)cc1Cl Show InChI InChI=1S/C30H29ClFNO4S2/c1-20-14-21(2)30(22(3)15-20)39(36,37)33(19-26-12-13-27(32)17-29(26)31)18-23-8-10-24(11-9-23)25-6-5-7-28(16-25)38(4,34)35/h5-17H,18-19H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay |
J Med Chem 53: 3412-6 (2010)
Article DOI: 10.1021/jm901797p BindingDB Entry DOI: 10.7270/Q2NP25P6 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50271751
(CHEMBL4127140)Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-31(2)15-3-13-29-26(33)20-10-6-18(7-11-20)23-16-22-21(12-14-28-25(22)30-23)17-4-8-19(9-5-17)24(27)32/h4-12,14,16H,3,13,15H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of IKK1 (unknown origin) |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50271730
(CHEMBL4125774)Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-4-3-5-18(12-15)21-13-20-19(10-11-25-23(20)26-21)16-6-8-17(9-7-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of IKK1 (unknown origin) |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50271776
(CHEMBL4125907)Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-3-5-17(6-4-15)21-13-20-19(11-12-25-23(20)26-21)16-7-9-18(10-8-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of IKK1 (unknown origin) |
Bioorg Med Chem Lett 28: 1958-1963 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB |
More data for this Ligand-Target Pair | |