Found 674 hits with Last Name = 'vanderporten' and Initial = 'e' 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 |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM24933
(2-amino-isoxazolopyridine, 9 | 3-(2H-1,3-benzodiox...)Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O3/c1-13(14-5-3-2-4-6-14)23-20-10-16-19(11-22-20)27-24-21(16)15-7-8-17-18(9-15)26-12-25-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1 | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5186-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089931
(CHEMBL3581197)Show SMILES C[C@@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1 |r,c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19?/m1/s1 | PDB MMDB
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533317
(CHEMBL4538785)Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C14H11N5O2/c1-2-10-12(8-3-4-11(20)16-6-8)18-13-9(5-15)7-17-19(13)14(10)21/h3-4,6-7,18H,2H2,1H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533317
(CHEMBL4538785)Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C14H11N5O2/c1-2-10-12(8-3-4-11(20)16-6-8)18-13-9(5-15)7-17-19(13)14(10)21/h3-4,6-7,18H,2H2,1H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533308
(CHEMBL4444632)Show InChI InChI=1S/C14H11N5O/c1-2-11-12(9-4-3-5-16-7-9)18-13-10(6-15)8-17-19(13)14(11)20/h3-5,7-8,18H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533308
(CHEMBL4444632)Show InChI InChI=1S/C14H11N5O/c1-2-11-12(9-4-3-5-16-7-9)18-13-10(6-15)8-17-19(13)14(11)20/h3-5,7-8,18H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5C
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5C (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5C
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5C (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533309
(CHEMBL4464860)Show InChI InChI=1S/C15H12N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h3-7,9,18H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533309
(CHEMBL4464860)Show InChI InChI=1S/C15H12N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h3-7,9,18H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089926
(CHEMBL3581201)Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C22H19Cl2NO4S/c1-11(2)29-18-6-5-15(23)20(21(18)24)13-7-16(27)22(17(28)8-13)30-19-9-14(26)4-3-12(19)10-25/h3-6,9,11,13,26-27H,7-8H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM195610
(KDM inhibitor, 3)Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM195610
(KDM inhibitor, 3)Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/20 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50511732
(CHEMBL4434743) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins... |
ACS Med Chem Lett 11: 541-549 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM195608
(CPI-455)Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/20 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM370419
(2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol | US1023...)Show InChI InChI=1S/C12H12N2O/c15-6-5-11-9-3-1-2-4-10(9)12-7-13-8-14(11)12/h1-4,7-8,11,15H,5-6H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins... |
ACS Med Chem Lett 11: 541-549 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25517
(2-amino-pyrazolopyridine, 28 | 3-[3-chloro-5-(3-me...)Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(O)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H23ClN4O2/c1-15(18-6-4-3-5-7-18)27-23-13-22-21(14-26-23)16(2)28-29(22)20-11-17(8-9-24(30)31)10-19(25)12-20/h3-7,10-15H,8-9H2,1-2H3,(H,26,27)(H,30,31)/t15-/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
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5648-52 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM24933
(2-amino-isoxazolopyridine, 9 | 3-(2H-1,3-benzodiox...)Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O3/c1-13(14-5-3-2-4-6-14)23-20-10-16-19(11-22-20)27-24-21(16)15-7-8-17-18(9-15)26-12-25-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1 | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5186-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM191596
(6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...)Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM191596
(6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...)Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089927
(CHEMBL3581200)Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:9| Show InChI InChI=1S/C22H21Cl3O4S/c1-11(2)29-18-7-6-15(24)20(21(18)25)12-8-16(26)22(17(27)9-12)30-19-10-13(28-3)4-5-14(19)23/h4-7,10-12,26H,8-9H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50534523
(CHEMBL4560583)Show InChI InChI=1S/C9H5N3O2/c10-3-6-8(13)5-1-2-11-4-7(5)12-9(6)14/h1-2,4H,(H2,12,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length human KDM5A using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 1 uM of 2-... |
Bioorg Med Chem Lett 26: 4492-4496 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.070 BindingDB Entry DOI: 10.7270/Q20P13J9 |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50321325
(CHEMBL4173485)Show InChI InChI=1S/C7H6N2OS/c8-7-6(3-9-10-7)5-1-2-11-4-5/h1-4H,8H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2... |
ACS Med Chem Lett 9: 417-421 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50321332
(CHEMBL4165554)Show InChI InChI=1S/C7H6N2OS/c8-7-5(4-9-10-7)6-2-1-3-11-6/h1-4H,8H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2... |
ACS Med Chem Lett 9: 417-421 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00427 BindingDB Entry DOI: 10.7270/Q2M0481G |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089929
(CHEMBL3581205)Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1 |c:9| Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089923
(CHEMBL3581204)Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 |c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089928
(CHEMBL3581199)Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3Cl)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C21H19Cl3O4S/c1-10(2)28-17-6-5-14(23)19(20(17)24)11-7-15(26)21(16(27)8-11)29-18-9-12(25)3-4-13(18)22/h3-6,9-11,25-26H,7-8H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25518
(2-amino-pyrazolopyridine, 29 | 3-[3-chloro-5-(3-me...)Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H24ClN5O/c1-15(18-6-4-3-5-7-18)28-24-13-22-21(14-27-24)16(2)29-30(22)20-11-17(8-9-23(26)31)10-19(25)12-20/h3-7,10-15H,8-9H2,1-2H3,(H2,26,31)(H,27,28)/t15-/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
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5648-52 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089924
(CHEMBL3581203)Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccncc2)c1 |c:9| Show InChI InChI=1S/C24H18Cl3NO3S/c1-31-15-2-4-17(25)21(12-15)32-24-19(29)10-14(11-20(24)30)22-18(26)5-3-16(23(22)27)13-6-8-28-9-7-13/h2-9,12,14,29H,10-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089934
(CHEMBL3581194)Show SMILES COC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:12| Show InChI InChI=1S/C21H17Cl3O4S/c1-28-19(27)8-11-5-6-13(22)18(7-11)29-21-16(25)9-12(10-17(21)26)20-14(23)3-2-4-15(20)24/h2-7,12,25H,8-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25522
(2-[3-chloro-5-(3-methyl-6-{[(1S)-1-phenylethyl]ami...)Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5648-52 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25519
(2-amino-pyrazolopyridine, 30 | 3-[3-chloro-5-(3-me...)Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(=O)NCCO)c1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O2/c1-17(20-6-4-3-5-7-20)30-25-15-24-23(16-29-25)18(2)31-32(24)22-13-19(12-21(27)14-22)8-9-26(34)28-10-11-33/h3-7,12-17,33H,8-11H2,1-2H3,(H,28,34)(H,29,30)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5648-52 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50534529
(CHEMBL4441819)Show InChI InChI=1S/C11H11N3O3/c1-2-13-10(16)8-9(15)6-3-4-12-5-7(6)14-11(8)17/h3-5H,2H2,1H3,(H,13,16)(H2,14,15,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length human KDM5A using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 1 uM of 2-... |
Bioorg Med Chem Lett 26: 4492-4496 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.070 BindingDB Entry DOI: 10.7270/Q20P13J9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25523
(2-[3-chloro-5-(6-{[(1S)-1-phenylethyl]amino}-1H-py...)Show SMILES C[C@H](Nc1cc2n(ncc2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H22ClN5O/c1-17(18-7-3-2-4-8-18)32-26-14-25-20(15-30-26)16-31-33(25)22-12-19(11-21(28)13-22)23-9-5-6-10-24(23)27(29)34/h2-17H,1H3,(H2,29,34)(H,30,32)/t17-/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
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5648-52 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM24935
(2-amino-isoxazolopyridine, 15 | 3-[3-chloro-5-(5-{...)Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H21ClN4O2/c1-14(16-5-3-2-4-6-16)27-22-12-19-20(13-26-22)30-28-23(19)17-9-15(7-8-21(25)29)10-18(24)11-17/h2-6,9-14H,7-8H2,1H3,(H2,25,29)(H,26,27)/t14-/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
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5186-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533312
(CHEMBL4557175)Show InChI InChI=1S/C11H12N4O/c1-3-4-9-7(2)14-10-8(5-12)6-13-15(10)11(9)16/h6,14H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50533312
(CHEMBL4557175)Show InChI InChI=1S/C11H12N4O/c1-3-4-9-7(2)14-10-8(5-12)6-13-15(10)11(9)16/h6,14H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay |
Bioorg Med Chem Lett 26: 4350-4 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.026 BindingDB Entry DOI: 10.7270/Q2MW2MNW |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25520
(1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(...)Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCCN)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H26ClN5/c1-16(19-8-4-3-5-9-19)28-24-14-23-22(15-27-24)17(2)29-30(23)21-12-18(7-6-10-26)11-20(25)13-21/h3-5,8-9,11-16H,6-7,10,26H2,1-2H3,(H,27,28)/t16-/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
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Sunesis Pharmaceuticals
| Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio... |
Bioorg Med Chem Lett 18: 5648-52 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089946
(CHEMBL3581182)Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1Cl |c:1| Show InChI InChI=1S/C24H16Cl4O2S/c25-16-6-2-1-5-14(16)15-9-10-18(27)22(23(15)28)13-11-19(29)24(20(30)12-13)31-21-8-4-3-7-17(21)26/h1-10,13,29H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM50511733
(CHEMBL4443553)Show InChI InChI=1S/C12H12N2O/c15-6-5-10-9-3-1-2-4-11(9)14-8-13-7-12(10)14/h1-4,7-8,10,15H,5-6H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins... |
ACS Med Chem Lett 11: 541-549 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089949
(CHEMBL3581179)Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(NC2CCOCC2)c1Cl |c:1| Show InChI InChI=1S/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50534523
(CHEMBL4560583)Show InChI InChI=1S/C9H5N3O2/c10-3-6-8(13)5-1-2-11-4-7(5)12-9(6)14/h1-2,4H,(H2,12,13,14) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length human KDM5B using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 2 uM of 2-... |
Bioorg Med Chem Lett 26: 4492-4496 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.070 BindingDB Entry DOI: 10.7270/Q20P13J9 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50534533
(CHEMBL4471064)Show InChI InChI=1S/C10H9N3O3/c1-11-9(15)7-8(14)5-2-3-12-4-6(5)13-10(7)16/h2-4H,1H3,(H,11,15)(H2,13,14,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length human KDM5A using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 1 uM of 2-... |
Bioorg Med Chem Lett 26: 4492-4496 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.070 BindingDB Entry DOI: 10.7270/Q20P13J9 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089944
(CHEMBL3581184)Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccncc1 |c:1| Show InChI InChI=1S/C23H16Cl3NO2S/c24-16-3-1-2-4-20(16)30-23-18(28)11-14(12-19(23)29)21-17(25)6-5-15(22(21)26)13-7-9-27-10-8-13/h1-10,14,28H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50089948
(CHEMBL3581180)Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C21H19Cl3O3S/c1-11(2)27-17-8-7-14(23)19(20(17)24)12-9-15(25)21(16(26)10-12)28-18-6-4-3-5-13(18)22/h3-8,11-12,25H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this Ligand-Target Pair | |