Found 101 hits with Last Name = 'cui' and Initial = 'l' 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 |
Glucagon receptor
(Homo sapiens (Human)) | BDBM50396184
(REDIOCIDE A)Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35| Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of GCGR expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry |
J Nat Prod 75: 1058-62 (2012)
Article DOI: 10.1021/np3000359 BindingDB Entry DOI: 10.7270/Q27S7PW9 |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50396184
(REDIOCIDE A)Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35| Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank 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 |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of adrenergic receptor 1a expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry |
J Nat Prod 75: 1058-62 (2012)
Article DOI: 10.1021/np3000359 BindingDB Entry DOI: 10.7270/Q27S7PW9 |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196511
(CHEMBL3966973)Show InChI InChI=1S/C17H20N4O2/c18-17(21-23)14-6-8-15(9-7-14)20-16(22)12-19-11-10-13-4-2-1-3-5-13/h1-9,19,23H,10-12H2,(H2,18,21)(H,20,22) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50396184
(REDIOCIDE A)Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35| Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of adrenergic receptor 1b receptor expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based flu... |
J Nat Prod 75: 1058-62 (2012)
Article DOI: 10.1021/np3000359 BindingDB Entry DOI: 10.7270/Q27S7PW9 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 6
(Homo sapiens (Human)) | BDBM50396184
(REDIOCIDE A)Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35| Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of CCR6 expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry |
J Nat Prod 75: 1058-62 (2012)
Article DOI: 10.1021/np3000359 BindingDB Entry DOI: 10.7270/Q27S7PW9 |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196485
(CHEMBL3928252)Show InChI InChI=1S/C18H22N4O2/c19-18(22-24)15-6-8-16(9-7-15)21-17(23)11-13-20-12-10-14-4-2-1-3-5-14/h1-9,20,24H,10-13H2,(H2,19,22)(H,21,23) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196484
(CHEMBL3904789)Show InChI InChI=1S/C13H20N4O2/c1-2-3-8-15-9-12(18)16-11-6-4-10(5-7-11)13(14)17-19/h4-7,15,19H,2-3,8-9H2,1H3,(H2,14,17)(H,16,18) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196510
(CHEMBL3946048)Show InChI InChI=1S/C16H18N4O2/c17-15(20-22)13-6-8-14(9-7-13)19-16(21)18-11-10-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H2,17,20)(H2,18,19,21) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196488
(CHEMBL3965070)Show InChI InChI=1S/C15H24N4O2/c1-2-3-4-5-10-17-11-14(20)18-13-8-6-12(7-9-13)15(16)19-21/h6-9,17,21H,2-5,10-11H2,1H3,(H2,16,19)(H,18,20) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 381 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196489
(CHEMBL3937238)Show InChI InChI=1S/C14H22N4O2/c1-2-3-9-16-10-8-13(19)17-12-6-4-11(5-7-12)14(15)18-20/h4-7,16,20H,2-3,8-10H2,1H3,(H2,15,18)(H,17,19) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 528 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196508
(CHEMBL3938962)Show InChI InChI=1S/C16H17N3O3/c20-15(19-22)13-6-8-14(9-7-13)18-16(21)17-11-10-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,19,20)(H2,17,18,21) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 582 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196509
(CHEMBL3924154)Show InChI InChI=1S/C12H18N4O2/c1-2-3-8-14-12(17)15-10-6-4-9(5-7-10)11(13)16-18/h4-7,18H,2-3,8H2,1H3,(H2,13,16)(H2,14,15,17) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196487
(CHEMBL3984942)Show InChI InChI=1S/C14H22N4O2/c1-2-3-4-5-10-16-14(19)17-12-8-6-11(7-9-12)13(15)18-20/h6-9,20H,2-5,10H2,1H3,(H2,15,18)(H2,16,17,19) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 599 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196490
(CHEMBL3955862)Show InChI InChI=1S/C16H26N4O2/c1-2-3-4-5-11-18-12-10-15(21)19-14-8-6-13(7-9-14)16(17)20-22/h6-9,18,22H,2-5,10-12H2,1H3,(H2,17,20)(H,19,21) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 602 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196506
(CHEMBL3938345)Show InChI InChI=1S/C19H24N4O2/c20-19(23-25)16-8-10-17(11-9-16)22-18(24)7-4-13-21-14-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,21,25H,4,7,12-14H2,(H2,20,23)(H,22,24) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 697 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196512
(CHEMBL3947130)Show InChI InChI=1S/C15H24N4O2/c1-2-3-10-17-11-4-5-14(20)18-13-8-6-12(7-9-13)15(16)19-21/h6-9,17,21H,2-5,10-11H2,1H3,(H2,16,19)(H,18,20) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 723 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196486
(CHEMBL3910411)Show InChI InChI=1S/C16H26N4O2/c1-2-3-11-18-12-5-4-6-15(21)19-14-9-7-13(8-10-14)16(17)20-22/h7-10,18,22H,2-6,11-12H2,1H3,(H2,17,20)(H,19,21) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196507
(CHEMBL3964329)Show InChI InChI=1S/C18H30N4O2/c1-2-3-4-6-13-20-14-7-5-8-17(23)21-16-11-9-15(10-12-16)18(19)22-24/h9-12,20,24H,2-8,13-14H2,1H3,(H2,19,22)(H,21,23) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196513
(CHEMBL3964362)Show InChI InChI=1S/C20H26N4O2/c21-20(24-26)17-9-11-18(12-10-17)23-19(25)8-4-5-14-22-15-13-16-6-2-1-3-7-16/h1-3,6-7,9-12,22,26H,4-5,8,13-15H2,(H2,21,24)(H,23,25) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Histone deacetylase (HDAC1 and HDAC2)
(Homo sapiens (Human)) | BDBM50196505
(CHEMBL3919343)Show InChI InChI=1S/C17H28N4O2/c1-2-3-4-5-12-19-13-6-7-16(22)20-15-10-8-14(9-11-15)17(18)21-23/h8-11,19,23H,2-7,12-13H2,1H3,(H2,18,21)(H,20,22) | PDB
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Qilu Normal University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ... |
Bioorg Med Chem Lett 26: 4679-4683 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.073 BindingDB Entry DOI: 10.7270/Q2V69MKX |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Chlorocebus aethiops) | BDBM50204552
(CHEMBL3959948)Show SMILES CCC[C@@H]1C\C(C[C@@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50179012
(CHEMBL382338 | Sanggenon G)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6@H](-[#6@@H](-[#6]-1)-c1ccc(-[#8])cc1-[#8])-[#6](=O)-c1ccc(-[#8])cc1-[#8])-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc(-[#8])ccc1-[#8] |t:6| Show InChI InChI=1S/C40H38O11/c1-19(2)4-3-5-20-12-26(24-9-6-22(42)15-30(24)45)36(39(49)25-10-7-23(43)16-31(25)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)27-14-21(41)8-11-29(27)44/h4,6-11,13-16,18,26,28,34,36,41-47,50H,3,5,12,17H2,1-2H3/t26-,28-,34-,36-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 1426-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.071 BindingDB Entry DOI: 10.7270/Q2JQ10KT |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50179008
(CHEMBL204813 | sanggenon C)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6][C@]12[#8]-c3cc(-[#8])c(-[#6@H]-4-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)[C@@]1([#8])[#8]-c1cc(-[#8])ccc21 |r,t:13| Show InChI InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 1426-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.071 BindingDB Entry DOI: 10.7270/Q2JQ10KT |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Chlorocebus aethiops) | BDBM50204547
(CHEMBL3923673)Show SMILES CCC[C@@H]1CC(C[C@@]2(O1)C(=O)Nc1ccccc21)=NOCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/t18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem 16: 10356-62 (2008)
Article DOI: 10.1016/j.bmc.2008.10.012 BindingDB Entry DOI: 10.7270/Q251404T |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Nat Prod 70: 1039-42 (2007)
Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50346601
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50104694
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3 | 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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Nat Prod 70: 1039-42 (2007)
Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50104694
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3 | 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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 1426-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.071 BindingDB Entry DOI: 10.7270/Q2JQ10KT |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50104694
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3 | 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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50104694
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3 | 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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem 16: 10356-62 (2008)
Article DOI: 10.1016/j.bmc.2008.10.012 BindingDB Entry DOI: 10.7270/Q251404T |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50179010
(CHEMBL378806 | CVD-0019900 | Mulberrofuran C)Show SMILES CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 |t:1| Show InChI InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 16: 1426-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.071 BindingDB Entry DOI: 10.7270/Q2JQ10KT |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50185123
(3beta-hydroxyurs-12-en-27-oic acid | CHEMBL380467)Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C |c:12| Show InChI InChI=1S/C30H48O3/c1-18-10-13-27(5)16-17-30(25(32)33)20(24(27)19(18)2)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27-,28+,29-,30-/m1/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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50185131
(3beta-hydroxyolean-12-en-27-oic acid | CHEMBL21097...)Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1 |c:13| Show InChI InChI=1S/C30H48O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22+,23-,27+,28-,29+,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 | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Chlorocebus aethiops) | BDBM50204550
(CHEMBL3916935)Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1ccccc21)NCc1ccccc1 |r| Show InChI InChI=1S/C22H26N2O2/c1-2-8-18-13-17(23-15-16-9-4-3-5-10-16)14-22(26-18)19-11-6-7-12-20(19)24-21(22)25/h3-7,9-12,17-18,23H,2,8,13-15H2,1H3,(H,24,25)/t17-,18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50370716
(CHEMBL1081157)Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:13| Show InChI InChI=1S/C30H46O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27+,28-,29+,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 | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50185122
(3beta-acetoxyolean-12-en-27-oic acid | CHEMBL20863...)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C(O)=O)C1(C)C |t:17| Show InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(7)23(28(25,4)5)11-14-31(8)24(30)10-9-21-22-19-27(2,3)15-16-29(22,6)17-18-32(21,31)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23?,24+,25-,29+,30-,31+,32+/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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Chlorocebus aethiops) | BDBM50204547
(CHEMBL3923673)Show SMILES CCC[C@@H]1CC(C[C@@]2(O1)C(=O)Nc1ccccc21)=NOCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/t18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Chlorocebus aethiops) | BDBM50204553
(CHEMBL3971022)Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1 |r| Show InChI InChI=1S/C29H32N2O2/c1-2-11-25-18-24(30-20-22-12-5-3-6-13-22)19-29(33-25)26-16-9-10-17-27(26)31(28(29)32)21-23-14-7-4-8-15-23/h3-10,12-17,24-25,30H,2,11,18-21H2,1H3/t24-,25-,29+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Chlorocebus aethiops) | BDBM50204545
(CHEMBL3898917)Show SMILES CCC[C@@H]1CC(=O)C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21 |r| Show InChI InChI=1S/C16H18BrNO3/c1-3-5-11-8-10(19)9-16(21-11)14-12(17)6-4-7-13(14)18(2)15(16)20/h4,6-7,11H,3,5,8-9H2,1-2H3/t11-,16+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Dual specificity protein phosphatase 3
(Homo sapiens (Human)) | BDBM50104694
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of VHR DS-PTP |
Bioorg Med Chem Lett 16: 1426-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.071 BindingDB Entry DOI: 10.7270/Q2JQ10KT |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Chlorocebus aethiops) | BDBM50204553
(CHEMBL3971022)Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1 |r| Show InChI InChI=1S/C29H32N2O2/c1-2-11-25-18-24(30-20-22-12-5-3-6-13-22)19-29(33-25)26-16-9-10-17-27(26)31(28(29)32)21-23-14-7-4-8-15-23/h3-10,12-17,24-25,30H,2,11,18-21H2,1H3/t24-,25-,29+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50185120
(3alpha,24-dihydroxyolean-12-en-27-oic acid | CHEMB...)Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2C1 |c:13| Show InChI InChI=1S/C30H48O4/c1-25(2)13-14-26(3)15-16-30(24(33)34)19(20(26)17-25)7-8-22-27(4)11-10-23(32)28(5,18-31)21(27)9-12-29(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21?,22+,23+,26+,27-,28+,29+,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 | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Chlorocebus aethiops) | BDBM50204558
(CHEMBL3960874)Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1cccc(Br)c21)NCc1ccccc1 |r| Show InChI InChI=1S/C22H25BrN2O2/c1-2-7-17-12-16(24-14-15-8-4-3-5-9-15)13-22(27-17)20-18(23)10-6-11-19(20)25-21(22)26/h3-6,8-11,16-17,24H,2,7,12-14H2,1H3,(H,25,26)/t16-,17-,22+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50185125
(3beta,6beta-dihydroxyolean-12-en-27-oic acid | CHE...)Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5[C@H](O)C[C@@]34C)[C@@H]2C1 |c:13| Show InChI InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23?,27+,28+,29+,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 | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM23195
((2S,4aS,6aS,6bR,10S,12aS,12bR,14bR)-10-hydroxy-2,4...)Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50274831
((S)-5,7,8'-trihydroxy-2',2'-dimethyl-5'-(3-methylb...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(cc(-[#8])c2-[#8]C([#6])([#6])[#6]=[#6]-c12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r,c:15| Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-16-7-8-25(3,4)31-24(16)20(29)11-17(15)21-12-19(28)23-18(27)9-14(26)10-22(23)30-21/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/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 | 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology (KRIBB)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem 16: 10356-62 (2008)
Article DOI: 10.1016/j.bmc.2008.10.012 BindingDB Entry DOI: 10.7270/Q251404T |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Chlorocebus aethiops) | BDBM50204551
(CHEMBL3958875)Show SMILES CCC[C@H]1C\C(C[C@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas... |
Bioorg Med Chem Lett 26: 5899-5901 (2016)
Article DOI: 10.1016/j.bmcl.2016.11.008 BindingDB Entry DOI: 10.7270/Q2D220KD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50185124
(CHEMBL381707 | methyl 3beta-hydroxyolean-12-en-28-...)Show SMILES COC(=O)[C@@]12CCC3C(=CC[C@H]4[C@@]3(C)CCC3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]1CC(C)(C)CC2 |c:8| Show InChI InChI=1S/C30H48O3/c1-26(2)16-17-30(25(32)33-7)15-10-20-19(21(30)18-26)8-9-23-28(20,5)13-11-22-27(3,4)24(31)12-14-29(22,23)6/h8,20-24,31H,9-18H2,1-7H3/t20?,21-,22?,23-,24-,28-,29-,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 | 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
Bioorg Med Chem Lett 16: 3273-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV |
More data for this Ligand-Target Pair | |