Found 3553 hits with Last Name = 'chai' and Initial = 'a' 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 |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29882
(alkynyl ether, 24)Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50583520
(CHEMBL5094006)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29881
(alkynyl ether, 23)Show SMILES OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29868
(alkynyl ether, 10)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4 | n/a | n/a | n/a | 54 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29885
(alkynyl ether, 27)Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29879
(alkynyl ether, 21)Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29878
(alkynyl ether, 20)Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29883
(alkynyl ether, 25)Show SMILES C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |r| Show InChI InChI=1S/C31H29F3O6S/c1-20(35)5-4-16-38-27-17-21(18-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-19-30(36)37)24-6-2-3-7-25(24)28/h8-15,17,20,35H,2-3,6-7,16,18-19H2,1H3,(H,36,37)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29877
(alkynyl ether, 19)Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12 Show InChI InChI=1S/C29H25F3O5S/c1-2-15-35-25-16-19(17-36-21-10-8-20(9-11-21)29(30,31)32)7-13-27(25)38-26-14-12-24(37-18-28(33)34)22-5-3-4-6-23(22)26/h1,7-14,16H,3-6,15,17-18H2,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29867
(phenoxyacetic acid-ether, 9)Show SMILES COCCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C Show InChI InChI=1S/C28H29F3O6S/c1-18-19(2)25(12-10-23(18)37-17-27(32)33)38-26-11-5-20(15-24(26)35-14-4-13-34-3)16-36-22-8-6-21(7-9-22)28(29,30)31/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29884
(alkynyl ether, 26)Show SMILES COCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c1-37-16-4-5-17-38-27-18-21(19-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-20-30(35)36)24-6-2-3-7-25(24)28/h8-15,18H,2-3,6-7,16-17,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peripheral plasma membrane protein CASK
(Homo sapiens (Human)) | BDBM50574225
(CHEMBL4850857)Show SMILES Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)cc1Br | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of tracer K5 binding to NanoLuc-fused CASK (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00845 BindingDB Entry DOI: 10.7270/Q2WH2TSV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29869
(phenoxyacetic acid-ether, 11)Show SMILES COCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C Show InChI InChI=1S/C27H27F3O6S/c1-17-18(2)24(11-9-22(17)36-16-26(31)32)37-25-10-4-19(14-23(25)34-13-12-33-3)15-35-21-7-5-20(6-8-21)27(28,29)30/h4-11,14H,12-13,15-16H2,1-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29891
(alkynyl ether, 33)Show SMILES CCC#CCOc1cc(COc2ccc(cn2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H28F3NO5S/c1-2-3-6-15-37-25-16-20(18-39-28-14-10-21(17-34-28)30(31,32)33)9-12-27(25)40-26-13-11-24(38-19-29(35)36)22-7-4-5-8-23(22)26/h9-14,16-17H,2,4-5,7-8,15,18-19H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50583520
(CHEMBL5094006)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 14.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Covalent inhibition of human full length N-terminal GST-fused MPS1 (1 to 857 residues) assessed as inhibition constant by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC |
More data for this Ligand-Target Pair | |
Peripheral plasma membrane protein CASK
(Homo sapiens (Human)) | BDBM50425829
(CHEMBL2312304)Show SMILES Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1 Show InChI InChI=1S/C23H28Cl2N6O3/c24-16-6-7-19(25)15(12-16)13-27-22-28-14-18(20(30-22)29-17-4-1-2-5-17)21(32)26-8-3-9-31-10-11-34-23(31)33/h6-7,12,14,17H,1-5,8-11,13H2,(H,26,32)(H2,27,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of tracer K5 binding to NanoLuc-fused CASK (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00845 BindingDB Entry DOI: 10.7270/Q2WH2TSV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peripheral plasma membrane protein CASK
(Homo sapiens (Human)) | BDBM50574224
(CHEMBL4876584)Show SMILES Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCCC3)n2)cc1Br | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of tracer K5 binding to NanoLuc-fused CASK (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00845 BindingDB Entry DOI: 10.7270/Q2WH2TSV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29886
(alkynyl ether, 28)Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12 Show InChI InChI=1S/C34H28F3NO5S/c35-34(36,37)25-10-12-26(13-11-25)42-21-24-9-15-32(30(19-24)41-18-4-6-23-5-3-17-38-20-23)44-31-16-14-29(43-22-33(39)40)27-7-1-2-8-28(27)31/h3,5,9-17,19-20H,1-2,7-8,18,21-22H2,(H,39,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29870
(phenoxyacetic acid-ether, 12)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O Show InChI InChI=1S/C26H22F3NO5S/c1-16-17(2)23(10-8-21(16)35-15-25(31)32)36-24-9-3-18(13-22(24)33-12-11-30)14-34-20-6-4-19(5-7-20)26(27,28)29/h3-10,13H,12,14-15H2,1-2H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29884
(alkynyl ether, 26)Show SMILES COCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c1-37-16-4-5-17-38-27-18-21(19-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-20-30(35)36)24-6-2-3-7-25(24)28/h8-15,18H,2-3,6-7,16-17,19-20H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | 610 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29880
(alkynyl ether, 22)Show SMILES CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-31(2,38)16-5-17-39-27-18-21(19-40-23-11-9-22(10-12-23)32(33,34)35)8-14-29(27)42-28-15-13-26(41-20-30(36)37)24-6-3-4-7-25(24)28/h8-15,18,38H,3-4,6-7,17,19-20H2,1-2H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29886
(alkynyl ether, 28)Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12 Show InChI InChI=1S/C34H28F3NO5S/c35-34(36,37)25-10-12-26(13-11-25)42-21-24-9-15-32(30(19-24)41-18-4-6-23-5-3-17-38-20-23)44-31-16-14-29(43-22-33(39)40)27-7-1-2-8-28(27)31/h3,5,9-17,19-20H,1-2,7-8,18,21-22H2,(H,39,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29890
(alkynyl ether, 32)Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H31ClO5S/c1-3-4-7-16-35-28-18-22(19-36-26-12-11-23(32)17-21(26)2)10-14-30(28)38-29-15-13-27(37-20-31(33)34)24-8-5-6-9-25(24)29/h10-15,17-18H,3,5-6,8-9,16,19-20H2,1-2H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29887
(alkynyl ether, 29)Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29879
(alkynyl ether, 21)Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 33 | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50583973
(CHEMBL5093114) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29871
(phenoxyacetic acid-ether, 13)Show SMILES Cc1cc(COc2cc(COc3ccc(cc3)C(F)(F)F)ccc2Sc2ccc(OCC(O)=O)c(C)c2C)no1 Show InChI InChI=1S/C29H26F3NO6S/c1-17-12-22(33-39-17)15-37-25-13-20(14-36-23-7-5-21(6-8-23)29(30,31)32)4-10-27(25)40-26-11-9-24(18(2)19(26)3)38-16-28(34)35/h4-13H,14-16H2,1-3H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 35 | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29887
(alkynyl ether, 29)Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29889
(alkynyl ether, 31)Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H29ClO5S/c1-2-3-6-17-34-27-18-21(19-35-23-12-10-22(31)11-13-23)9-15-29(27)37-28-16-14-26(36-20-30(32)33)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29872
(phenoxyacetic acid-ether, 14)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2cccnc2)ccc1OCC(O)=O Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(12-10-25(19)39-18-29(35)36)40-28-11-5-21(14-26(28)38-17-22-4-3-13-34-15-22)16-37-24-8-6-23(7-9-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29889
(alkynyl ether, 31)Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H29ClO5S/c1-2-3-6-17-34-27-18-21(19-35-23-12-10-22(31)11-13-23)9-15-29(27)37-28-16-14-26(36-20-30(32)33)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 39 | n/a | n/a | n/a | 560 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29882
(alkynyl ether, 24)Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29885
(alkynyl ether, 27)Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 44 | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29873
(phenoxyacetic acid-ether, 15)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2ccncc2)ccc1OCC(O)=O Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(10-8-25(19)39-18-29(35)36)40-28-9-3-22(15-26(28)38-16-21-11-13-34-14-12-21)17-37-24-6-4-23(5-7-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 47 | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50059345
(CHEMBL3393355 | US9156845, 83)Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29874
(phenoxyacetic acid-ether, 16)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC2CCCO2)ccc1OCC(O)=O Show InChI InChI=1S/C29H29F3O6S/c1-18-19(2)26(12-10-24(18)38-17-28(33)34)39-27-11-5-20(14-25(27)37-16-23-4-3-13-35-23)15-36-22-8-6-21(7-9-22)29(30,31)32/h5-12,14,23H,3-4,13,15-17H2,1-2H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29894
(alkynyl ether, 36)Show SMILES CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C29H34O5S/c1-2-3-8-17-32-26-18-21(19-33-22-9-4-5-10-22)13-15-28(26)35-27-16-14-25(34-20-29(30)31)23-11-6-7-12-24(23)27/h13-16,18,22H,2,4-7,9-12,17,19-20H2,1H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 76 | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29878
(alkynyl ether, 20)Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 77 | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29883
(alkynyl ether, 25)Show SMILES C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |r| Show InChI InChI=1S/C31H29F3O6S/c1-20(35)5-4-16-38-27-17-21(18-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-19-30(36)37)24-6-2-3-7-25(24)28/h8-15,17,20,35H,2-3,6-7,16,18-19H2,1H3,(H,36,37)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29891
(alkynyl ether, 33)Show SMILES CCC#CCOc1cc(COc2ccc(cn2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H28F3NO5S/c1-2-3-6-15-37-25-16-20(18-39-28-14-10-21(17-34-28)30(31,32)33)9-12-27(25)40-26-13-11-24(38-19-29(35)36)22-7-4-5-8-23(22)26/h9-14,16-17H,2,4-5,7-8,15,18-19H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29880
(alkynyl ether, 22)Show SMILES CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-31(2,38)16-5-17-39-27-18-21(19-40-23-11-9-22(10-12-23)32(33,34)35)8-14-29(27)42-28-15-13-26(41-20-30(36)37)24-6-3-4-7-25(24)28/h8-15,18,38H,3-4,6-7,17,19-20H2,1-2H3,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50059345
(CHEMBL3393355 | US9156845, 83)Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM185556
(US9156845, 215)Show SMILES NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C17H17N5O2/c18-15(23)12-3-1-2-11(8-12)13-9-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2,(H2,18,23)(H,19,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29895
(alkynyl ether, 37)Show SMILES CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C28H32O5S/c1-2-3-6-15-32-25-16-21(18-31-17-20-9-10-20)11-13-27(25)34-26-14-12-24(33-19-28(29)30)22-7-4-5-8-23(22)26/h11-14,16,20H,2,4-5,7-10,15,17-19H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425829
(CHEMBL2312304)Show SMILES Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1 Show InChI InChI=1S/C23H28Cl2N6O3/c24-16-6-7-19(25)15(12-16)13-27-22-28-14-18(20(30-22)29-17-4-1-2-5-17)21(32)26-8-3-9-31-10-11-34-23(31)33/h6-7,12,14,17H,1-5,8-11,13H2,(H,26,32)(H2,27,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of tracer K5 binding to NanoLuc-fused TYRO3 (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00845 BindingDB Entry DOI: 10.7270/Q2WH2TSV |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29888
(alkynyl ether, 30)Show SMILES CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-8-17-37-27-18-21(19-38-26-12-7-6-11-24(26)31(32,33)34)13-15-29(27)40-28-16-14-25(39-20-30(35)36)22-9-4-5-10-23(22)28/h6-7,11-16,18H,2,4-5,9-10,17,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29895
(alkynyl ether, 37)Show SMILES CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C28H32O5S/c1-2-3-6-15-32-25-16-21(18-31-17-20-9-10-20)11-13-27(25)34-26-14-12-24(33-19-28(29)30)22-7-4-5-8-23(22)26/h11-14,16,20H,2,4-5,7-10,15,17-19H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50363167
(CHEMBL1945559)Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full length wild type CLK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate additi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM185556
(US9156845, 215)Show SMILES NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C17H17N5O2/c18-15(23)12-3-1-2-11(8-12)13-9-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2,(H2,18,23)(H,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804 BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29894
(alkynyl ether, 36)Show SMILES CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C29H34O5S/c1-2-3-8-17-32-26-18-21(19-33-22-9-4-5-10-22)13-15-28(26)35-27-16-14-25(34-20-29(30)31)23-11-6-7-12-24(23)27/h13-16,18,22H,2,4-7,9-12,17,19-20H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 150 | n/a | n/a | n/a | 900 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |