Found 69 hits with Last Name = 'sadeghian' and Initial = 'h' 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 |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234360
(2-Allyl-1-isopropoxy-4-methoxybenzene (4d))Show InChI InChI=1S/C13H18O2/c1-5-6-11-9-12(14-4)7-8-13(11)15-10(2)3/h5,7-10H,1,6H2,2-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.14E+3 | -31.2 | 5.90E+3 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234363
(2-Allyl-1-isobutoxy-4-methoxybenzene (4g))Show InChI InChI=1S/C14H20O2/c1-5-6-12-9-13(15-4)7-8-14(12)16-10-11(2)3/h5,7-9,11H,1,6,10H2,2-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.43E+3 | -28.7 | 3.58E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234359
(2-Allyl-4-methoxy-1-propoxybenzene (4c))Show InChI InChI=1S/C13H18O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.88E+3 | -28.4 | 3.43E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234362
(2-Allyl-1-sec-butoxy-4-methoxybenzene (4f))Show InChI InChI=1S/C14H20O2/c1-5-7-12-10-13(15-4)8-9-14(12)16-11(3)6-2/h5,8-11H,1,6-7H2,2-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.91E+3 | -26.8 | 2.08E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234366
(2-Allyl-1-cyclohexyloxy-4-methoxybenzene (4j))Show InChI InChI=1S/C16H22O2/c1-3-7-13-12-15(17-2)10-11-16(13)18-14-8-5-4-6-9-14/h3,10-12,14H,1,4-9H2,2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.38E+4 | -25.5 | 4.41E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234365
(2-Allyl-1-cyclopentyloxy-4-methoxybenzene (4i))Show InChI InChI=1S/C15H20O2/c1-3-6-12-11-14(16-2)9-10-15(12)17-13-7-4-5-8-13/h3,9-11,13H,1,4-8H2,2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.41E+4 | -25.5 | 4.02E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234361
(2-Allyl-1-butoxy-4-methoxybenzene (4e))Show InChI InChI=1S/C14H20O2/c1-4-6-10-16-14-9-8-13(15-3)11-12(14)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.72E+4 | -25.0 | 5.86E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234358
(2-Allyl-1-ethoxy-4-methoxybenzene (4b))Show InChI InChI=1S/C12H16O2/c1-4-6-10-9-11(13-3)7-8-12(10)14-5-2/h4,7-9H,1,5-6H2,2-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.72E+4 | -24.0 | 9.11E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234357
(2-Allyl-1,4-dimethoxybenzene (4a))Show InChI InChI=1S/C11H14O2/c1-4-5-9-8-10(12-2)6-7-11(9)13-3/h4,6-8H,1,5H2,2-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 3.19E+4 | -23.6 | 9.31E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
Seed linoleate 9S-lipoxygenase-3
(Glycine max (Soybean)) | BDBM234364
(2-Allyl-1- tert-butoxy-4-methoxybenzene (4h))Show InChI InChI=1S/C14H20O2/c1-6-7-11-10-12(15-5)8-9-13(11)16-14(2,3)4/h6,8-10H,1,7H2,2-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.32E+4 | -23.5 | 1.14E+4 | n/a | n/a | n/a | n/a | 9.0 | 1 |
Mashhad University of Medical Sciences
| Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ... |
J Enzyme Inhib Med Chem 26: 238-44 (2011)
Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308952
(4-Methyl-6-({3-[(4-methylpiperidino)carbonyl]-benz...)Show SMILES CC1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM192765
(1,3-Dimethoxy-5-methyl-2-((2E,6E)-3,7,11-trimethyl...)Show SMILES [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-22-23(25-6)16-21(5)17-24(22)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Ferdowsi University of Mashhad
| Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ... |
Chem Biol Drug Des 88: 460-9 (2016)
Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308954
(4-Methyl-6-{[3-(tetrahydro-1H-1-pyrrolylcarbonyl)-...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCC3)cc12 Show InChI InChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308951
(4-Methyl-6-{[3-(piperidinocarbonyl)benzyl]oxy}-1,2...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCCC3)cc12 Show InChI InChI=1S/C23H24N2O3/c1-16-12-22(26)24-21-9-8-19(14-20(16)21)28-15-17-6-5-7-18(13-17)23(27)25-10-3-2-4-11-25/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50552490
(CHEMBL4759600)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)CC)[C@@H](C)CC |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308949
(1-(3-{[(4-Methyl-2-oxo-1,2-dihydro-6-quinolinyl)ox...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(CC3)C(O)=O)cc12 Show InChI InChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308950
(6-({3-[(4-Hydroxypiperidino)carbonyl]benzyl}oxy)-4...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(O)CC3)cc12 Show InChI InChI=1S/C23H24N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13,18,26H,7-10,14H2,1H3,(H,24,27) | 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 | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308948
(4-Methyl-6-(3-[(4-oxopiperidino)carbonyl]benzyloxy...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(=O)CC3)cc12 Show InChI InChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27) | 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 | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308954
(4-Methyl-6-{[3-(tetrahydro-1H-1-pyrrolylcarbonyl)-...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCC3)cc12 Show InChI InChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308948
(4-Methyl-6-(3-[(4-oxopiperidino)carbonyl]benzyloxy...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(=O)CC3)cc12 Show InChI InChI=1S/C23H22N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13H,7-10,14H2,1H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308949
(1-(3-{[(4-Methyl-2-oxo-1,2-dihydro-6-quinolinyl)ox...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(CC3)C(O)=O)cc12 Show InChI InChI=1S/C24H24N2O5/c1-15-11-22(27)25-21-6-5-19(13-20(15)21)31-14-16-3-2-4-18(12-16)23(28)26-9-7-17(8-10-26)24(29)30/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,27)(H,29,30) | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50391177
(CHEMBL2088235)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc(=O)ccc2c1 Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-12-13-23-21(17-22)11-14-24(25)27-23/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method |
Eur J Med Chem 57: 134-42 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.006 BindingDB Entry DOI: 10.7270/Q20Z74CH |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308953
(4-Methyl-6-{[3-(morpholinocarbonyl)benzyl]oxy}-1,2...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCOCC3)cc12 Show InChI InChI=1S/C22H22N2O4/c1-15-11-21(25)23-20-6-5-18(13-19(15)20)28-14-16-3-2-4-17(12-16)22(26)24-7-9-27-10-8-24/h2-6,11-13H,7-10,14H2,1H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308950
(6-({3-[(4-Hydroxypiperidino)carbonyl]benzyl}oxy)-4...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCC(O)CC3)cc12 Show InChI InChI=1S/C23H24N2O4/c1-15-11-22(27)24-21-6-5-19(13-20(15)21)29-14-16-3-2-4-17(12-16)23(28)25-9-7-18(26)8-10-25/h2-6,11-13,18,26H,7-10,14H2,1H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308946
(4-Methyl-6-({3-[(4-ethylpiperazino)carbonyl]-benzy...)Show SMILES CCN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H27N3O3/c1-3-26-9-11-27(12-10-26)24(29)19-6-4-5-18(14-19)16-30-20-7-8-22-21(15-20)17(2)13-23(28)25-22/h4-8,13-15H,3,9-12,16H2,1-2H3,(H,25,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308953
(4-Methyl-6-{[3-(morpholinocarbonyl)benzyl]oxy}-1,2...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCOCC3)cc12 Show InChI InChI=1S/C22H22N2O4/c1-15-11-21(25)23-20-6-5-18(13-19(15)20)28-14-16-3-2-4-17(12-16)22(26)24-7-9-27-10-8-24/h2-6,11-13H,7-10,14H2,1H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50552491
(CHEMBL4777505)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308952
(4-Methyl-6-({3-[(4-methylpiperidino)carbonyl]-benz...)Show SMILES CC1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H26N2O3/c1-16-8-10-26(11-9-16)24(28)19-5-3-4-18(13-19)15-29-20-6-7-22-21(14-20)17(2)12-23(27)25-22/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,25,27) | 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 | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308947
(6-[(3-{[4-(2-Hydroxyethyl)piperazino]carbonyl}-ben...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCN(CCO)CC3)cc12 Show InChI InChI=1S/C24H27N3O4/c1-17-13-23(29)25-22-6-5-20(15-21(17)22)31-16-18-3-2-4-19(14-18)24(30)27-9-7-26(8-10-27)11-12-28/h2-6,13-15,28H,7-12,16H2,1H3,(H,25,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308951
(4-Methyl-6-{[3-(piperidinocarbonyl)benzyl]oxy}-1,2...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCCCC3)cc12 Show InChI InChI=1S/C23H24N2O3/c1-16-12-22(26)24-21-9-8-19(14-20(16)21)28-15-17-6-5-7-18(13-17)23(27)25-10-3-2-4-11-25/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,26) | 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 | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308945
(4-Methyl-6-({3-[(4-methylpiperazino)carbonyl]-benz...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C23H25N3O3/c1-16-12-22(27)24-21-7-6-19(14-20(16)21)29-15-17-4-3-5-18(13-17)23(28)26-10-8-25(2)9-11-26/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308946
(4-Methyl-6-({3-[(4-ethylpiperazino)carbonyl]-benzy...)Show SMILES CCN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C24H27N3O3/c1-3-26-9-11-27(12-10-26)24(29)19-6-4-5-18(14-19)16-30-20-7-8-22-21(15-20)17(2)13-23(28)25-22/h4-8,13-15H,3,9-12,16H2,1-2H3,(H,25,28) | 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 | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308947
(6-[(3-{[4-(2-Hydroxyethyl)piperazino]carbonyl}-ben...)Show SMILES Cc1cc(=O)[nH]c2ccc(OCc3cccc(c3)C(=O)N3CCN(CCO)CC3)cc12 Show InChI InChI=1S/C24H27N3O4/c1-17-13-23(29)25-22-6-5-20(15-21(17)22)31-16-18-3-2-4-19(14-18)24(30)27-9-7-26(8-10-27)11-12-28/h2-6,13-15,28H,7-12,16H2,1H3,(H,25,29) | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50308956
(6-(3-(4-methylpiperazine-1-carbonyl)benzyloxy)quin...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)ccc3c2)c1 Show InChI InChI=1S/C22H23N3O3/c1-24-9-11-25(12-10-24)22(27)18-4-2-3-16(13-18)15-28-19-6-7-20-17(14-19)5-8-21(26)23-20/h2-8,13-14H,9-12,15H2,1H3,(H,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308945
(4-Methyl-6-({3-[(4-methylpiperazino)carbonyl]-benz...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)cc(C)c3c2)c1 Show InChI InChI=1S/C23H25N3O3/c1-16-12-22(27)24-21-7-6-19(14-20(16)21)29-15-17-4-3-5-18(13-17)23(28)26-10-8-25(2)9-11-26/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27) | 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 | 3.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50391176
(CHEMBL2088234)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2oc(=O)ccc12 Show InChI InChI=1S/C24H30O3/c1-18(2)8-5-9-19(3)10-6-11-20(4)16-17-26-22-12-7-13-23-21(22)14-15-24(25)27-23/h7-8,10,12-16H,5-6,9,11,17H2,1-4H3/b19-10+,20-16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method |
Eur J Med Chem 57: 134-42 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.006 BindingDB Entry DOI: 10.7270/Q20Z74CH |
More data for this Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50552489
(CHEMBL4763905)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81 |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM192764
((E)-2-(3,7-Dimethylocta-2,6-dien-1-yl)-1,3-dimetho...)Show SMILES [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C19H28O2/c1-14(2)8-7-9-15(3)10-11-17-18(20-5)12-16(4)13-19(17)21-6/h8,10,12-13H,7,9,11H2,1-6H3/b15-10+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Ferdowsi University of Mashhad
| Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ... |
Chem Biol Drug Des 88: 460-9 (2016)
Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF |
More data for this Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50552492
(CHEMBL4791550)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50308956
(6-(3-(4-methylpiperazine-1-carbonyl)benzyloxy)quin...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(COc2ccc3[nH]c(=O)ccc3c2)c1 Show InChI InChI=1S/C22H23N3O3/c1-24-9-11-25(12-10-24)22(27)18-4-2-3-16(13-18)15-28-19-6-7-20-17(14-19)5-8-21(26)23-20/h2-8,13-14H,9-12,15H2,1H3,(H,23,26) | 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 | 5.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50391172
(CHEMBL2088232)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc(=O)ccc2c1 Show InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-8-9-18-16(13-17)7-10-19(20)22-18/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+ | PDB
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 |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method |
Eur J Med Chem 57: 134-42 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.006 BindingDB Entry DOI: 10.7270/Q20Z74CH |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM192763
(1,3-Dimethoxy-5-methyl-2-(3-methylbut-2-en-1-yl)be...)Show SMILES [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C14H20O2/c1-10(2)6-7-12-13(15-4)8-11(3)9-14(12)16-5/h6,8-9H,7H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Ferdowsi University of Mashhad
| Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ... |
Chem Biol Drug Des 88: 460-9 (2016)
Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50016980
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3A by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50391171
(CHEMBL2088231)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2oc(=O)ccc12 Show InChI InChI=1S/C19H22O3/c1-14(2)6-4-7-15(3)12-13-21-17-8-5-9-18-16(17)10-11-19(20)22-18/h5-6,8-12H,4,7,13H2,1-3H3/b15-12+ | PDB
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 |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method |
Eur J Med Chem 57: 134-42 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.006 BindingDB Entry DOI: 10.7270/Q20Z74CH |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human)) | BDBM50016980
(6-(4-(3,4-dimethoxybenzoyl)piperazin-1-yl)-3,4-dih...)Show SMILES COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic Azad University
Curated by ChEMBL
| Assay Description Inhibition of human PDE3B by fluorescence microplate reader |
Bioorg Med Chem 18: 855-62 (2010)
Article DOI: 10.1016/j.bmc.2009.11.044 BindingDB Entry DOI: 10.7270/Q2Q81F13 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50391178
(CHEMBL2088236)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2ccc(=O)oc12 Show InChI InChI=1S/C24H30O3/c1-18(2)8-5-9-19(3)10-6-11-20(4)16-17-26-22-13-7-12-21-14-15-23(25)27-24(21)22/h7-8,10,12-16H,5-6,9,11,17H2,1-4H3/b19-10+,20-16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method |
Eur J Med Chem 57: 134-42 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.006 BindingDB Entry DOI: 10.7270/Q20Z74CH |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50143435
(7-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method |
Eur J Med Chem 57: 134-42 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.006 BindingDB Entry DOI: 10.7270/Q20Z74CH |
More data for this Ligand-Target Pair | |
Programmed cell death 1 ligand 1
(Homo sapiens (Human)) | BDBM50552495
(CHEMBL4798338)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115951 BindingDB Entry DOI: 10.7270/Q2BV7M81 |
More data for this Ligand-Target Pair | |
Seed linoleate 13S-lipoxygenase-1
(Glycine max (soybean)) | BDBM192766
(4-MMPB)Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Ferdowsi University of Mashhad
| Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ... |
Chem Biol Drug Des 88: 460-9 (2016)
Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50361373
(AURAPTENE)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method |
Eur J Med Chem 57: 134-42 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.006 BindingDB Entry DOI: 10.7270/Q20Z74CH |
More data for this Ligand-Target Pair | |