Found 144 hits with Last Name = 'maiques-diaz' and Initial = 'a' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241539
(CHEMBL4084845)Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1 | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242934
(CHEMBL4066743)Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(O)C(F)(F)F)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H20F3N5O3/c20-19(21,22)16(28)11-30-17-8-15(18(29)26-7-1-2-13(24)10-26)25-27(17)14-5-3-12(9-23)4-6-14/h3-6,8,13,16,28H,1-2,7,10-11,24H2/t13-,16?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of platelet aggregation (PRP) |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242954
(CHEMBL4101067)Show SMILES CCc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r| Show InChI InChI=1S/C22H24N6O3/c1-2-17-10-19(31-26-17)14-30-21-11-20(22(29)27-9-3-4-16(24)13-27)25-28(21)18-7-5-15(12-23)6-8-18/h5-8,10-11,16H,2-4,9,13-14,24H2,1H3/t16-/m1/s1 | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241533
(CHEMBL4102775)Show SMILES COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C24H27FN4O2/c1-31-22-7-4-19(12-21(22)25)14-29(20-5-2-18(13-26)3-6-20)15-23(30)28-10-8-24(9-11-28)16-27-17-24/h2-7,12,27H,8-11,14-17H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242894
(CHEMBL4074323)Show SMILES CC(C)c1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r| Show InChI InChI=1S/C23H26N6O3/c1-15(2)20-10-19(32-27-20)14-31-22-11-21(23(30)28-9-3-4-17(25)13-28)26-29(22)18-7-5-16(12-24)6-8-18/h5-8,10-11,15,17H,3-4,9,13-14,25H2,1-2H3/t17-/m1/s1 | 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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM301063
(4-{3-[((3R)-3- aminopiperidyl)carbonyl]-5-(2- pyri...)Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCc2ccccn2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N6O2/c23-13-16-6-8-19(9-7-16)28-21(30-15-18-5-1-2-10-25-18)12-20(26-28)22(29)27-11-3-4-17(24)14-27/h1-2,5-10,12,17H,3-4,11,14-15,24H2/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of full length human LSD1 expressed in Escherichia coli using H3K4me1-biotin labeled peptide as substrate after 1 hr by TR-FRET assay |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242895
(CHEMBL4076163)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r| Show InChI InChI=1S/C21H22N6O3/c1-14-9-18(30-25-14)13-29-20-10-19(21(28)26-8-2-3-16(23)12-26)24-27(20)17-6-4-15(11-22)5-7-17/h4-7,9-10,16H,2-3,8,12-13,23H2,1H3/t16-/m1/s1 | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of platelet aggregation (PRP) |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242950
(CHEMBL4074334)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@H](N)C2)on1 |r| Show InChI InChI=1S/C20H20N6O3/c1-13-8-17(29-24-13)12-28-19-9-18(20(27)25-7-6-15(22)11-25)23-26(19)16-4-2-14(10-21)3-5-16/h2-5,8-9,15H,6-7,11-12,22H2,1H3/t15-/m0/s1 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242905
(CHEMBL4103503)Show SMILES Cc1nc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)no1 |r| Show InChI InChI=1S/C20H21N7O3/c1-13-23-18(25-30-13)12-29-19-9-17(20(28)26-8-2-3-15(22)11-26)24-27(19)16-6-4-14(10-21)5-7-16/h4-7,9,15H,2-3,8,11-12,22H2,1H3/t15-/m1/s1 | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of Fibrinogen receptor binding |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242892
(CHEMBL4088045)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@H](N)C2)on1 |r| Show InChI InChI=1S/C21H22N6O3/c1-14-9-18(30-25-14)13-29-20-10-19(21(28)26-8-2-3-16(23)12-26)24-27(20)17-6-4-15(11-22)5-7-17/h4-7,9-10,16H,2-3,8,12-13,23H2,1H3/t16-/m0/s1 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241526
(CHEMBL4095018)Show SMILES COc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C23H27FN4O2/c1-30-22-7-4-19(12-21(22)24)15-28(20-5-2-17(13-25)3-6-20)16-23(29)27-10-8-18(14-26)9-11-27/h2-7,12,18H,8-11,14-16,26H2,1H3 | 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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242886
(CHEMBL4104407)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCOC(CN)C2)on1 Show InChI InChI=1S/C21H22N6O4/c1-14-8-17(31-25-14)13-30-20-9-19(21(28)26-6-7-29-18(11-23)12-26)24-27(20)16-4-2-15(10-22)3-5-16/h2-5,8-9,18H,6-7,11-13,23H2,1H3 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM301063
(4-{3-[((3R)-3- aminopiperidyl)carbonyl]-5-(2- pyri...)Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCc2ccccn2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N6O2/c23-13-16-6-8-19(9-7-16)28-21(30-15-18-5-1-2-10-25-18)12-20(26-28)22(29)27-11-3-4-17(24)14-27/h1-2,5-10,12,17H,3-4,11,14-15,24H2/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242952
(CHEMBL4088035)Show SMILES CC(C)(O)CCOc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)9-11-29-19-12-18(20(27)25-10-3-4-16(23)14-25)24-26(19)17-7-5-15(13-22)6-8-17/h5-8,12,16,28H,3-4,9-11,14,23H2,1-2H3/t16-/m1/s1 | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241535
(CHEMBL4068129)Show SMILES Cc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C23H28N4O/c1-18-2-4-21(5-3-18)16-27(22-8-6-19(14-24)7-9-22)17-23(28)26-12-10-20(15-25)11-13-26/h2-9,20H,10-13,15-17,25H2,1H3 | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT). |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242953
(CHEMBL4066749)Show SMILES CN[C@@H]1CCCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H24N6O3/c1-15-10-19(31-26-15)14-30-21-11-20(22(29)27-9-3-4-17(13-27)24-2)25-28(21)18-7-5-16(12-23)6-8-18/h5-8,10-11,17,24H,3-4,9,13-14H2,1-2H3/t17-/m1/s1 | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241531
(CHEMBL4095517)Show SMILES NCC1CCN(CC1)C(=O)CN(Cc1ccc(Cl)cc1)c1ccc(cc1)C#N Show InChI InChI=1S/C22H25ClN4O/c23-20-5-1-19(2-6-20)15-27(21-7-3-17(13-24)4-8-21)16-22(28)26-11-9-18(14-25)10-12-26/h1-8,18H,9-12,14-16,25H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding potency against Vasopressin V1 receptor in rat liver cells. |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242907
(CHEMBL4077730)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)n(C)n1 |r| Show InChI InChI=1S/C22H25N7O2/c1-15-10-19(27(2)25-15)14-31-21-11-20(22(30)28-9-3-4-17(24)13-28)26-29(21)18-7-5-16(12-23)6-8-18/h5-8,10-11,17H,3-4,9,13-14,24H2,1-2H3/t17-/m1/s1 | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242905
(CHEMBL4103503)Show SMILES Cc1nc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)no1 |r| Show InChI InChI=1S/C20H21N7O3/c1-13-23-18(25-30-13)12-29-19-9-17(20(28)26-8-2-3-15(22)11-26)24-27(19)16-6-4-14(10-21)5-7-16/h4-7,9,15H,2-3,8,11-12,22H2,1H3/t15-/m1/s1 | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of LSD1 in human THP1 cells assessed as upregulation of CD86 levels by ELISA |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241520
(CHEMBL4064882)Show SMILES COc1cc(NS(=O)(=O)c2ccc3n(C)c(=O)c(C)cc3c2)ccc1-n1nc(C)cc1C Show InChI InChI=1S/C23H24N4O4S/c1-14-10-17-12-19(7-9-20(17)26(4)23(14)28)32(29,30)25-18-6-8-21(22(13-18)31-5)27-16(3)11-15(2)24-27/h6-13,25H,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242934
(CHEMBL4066743)Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(O)C(F)(F)F)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H20F3N5O3/c20-19(21,22)16(28)11-30-17-8-15(18(29)26-7-1-2-13(24)10-26)25-27(17)14-5-3-12(9-23)4-6-14/h3-6,8,13,16,28H,1-2,7,10-11,24H2/t13-,16?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of Fibrinogen receptor binding |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242883
(CHEMBL4062785)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC(N)CC2)on1 Show InChI InChI=1S/C21H22N6O3/c1-14-10-18(30-25-14)13-29-20-11-19(21(28)26-8-6-16(23)7-9-26)24-27(20)17-4-2-15(12-22)3-5-17/h2-5,10-11,16H,6-9,13,23H2,1H3 | 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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242954
(CHEMBL4101067)Show SMILES CCc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r| Show InChI InChI=1S/C22H24N6O3/c1-2-17-10-19(31-26-17)14-30-21-11-20(22(29)27-9-3-4-16(24)13-27)25-28(21)18-7-5-15(12-23)6-8-18/h5-8,10-11,16H,2-4,9,13-14,24H2,1H3/t16-/m1/s1 | 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 | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of LSD1 in human THP1 cells assessed as upregulation of CD86 levels by ELISA |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241493
(CHEMBL4103264)Show SMILES Cn1ncc2cc(CN(CC(=O)N3CCC(N)CC3)c3ccc(cc3)C#N)ccc12 Show InChI InChI=1S/C23H26N6O/c1-27-22-7-4-18(12-19(22)14-26-27)15-29(21-5-2-17(13-24)3-6-21)16-23(30)28-10-8-20(25)9-11-28/h2-7,12,14,20H,8-11,15-16,25H2,1H3 | 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 | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242891
(CHEMBL4095768)Show SMILES CN(C)C1CCCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C23H26N6O3/c1-16-11-20(32-26-16)15-31-22-12-21(23(30)28-10-4-5-19(14-28)27(2)3)25-29(22)18-8-6-17(13-24)7-9-18/h6-9,11-12,19H,4-5,10,14-15H2,1-3H3 | 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 | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242890
(CHEMBL4077739)Show SMILES [H][C@@]12CN(C[C@]1([H])NCCC2)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H24N6O3/c1-15-9-19(32-27-15)14-31-22-10-20(26-29(22)18-6-4-16(11-24)5-7-18)23(30)28-12-17-3-2-8-25-21(17)13-28/h4-7,9-10,17,21,25H,2-3,8,12-14H2,1H3/t17-,21+/m1/s1 | 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 | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242948
(CHEMBL4082935)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC(CN)CC2)on1 Show InChI InChI=1S/C22H24N6O3/c1-15-10-19(31-26-15)14-30-21-11-20(22(29)27-8-6-17(13-24)7-9-27)25-28(21)18-4-2-16(12-23)3-5-18/h2-5,10-11,17H,6-9,13-14,24H2,1H3 | 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 | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242889
(CHEMBL4069461)Show SMILES [H][C@]12CN(C[C@@]1([H])NCCC2)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H24N6O3/c1-15-9-19(32-27-15)14-31-22-10-20(26-29(22)18-6-4-16(11-24)5-7-18)23(30)28-12-17-3-2-8-25-21(17)13-28/h4-7,9-10,17,21,25H,2-3,8,12-14H2,1H3/t17-,21+/m0/s1 | 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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242956
(CHEMBL4085581)Show SMILES Cn1cnc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)n1 |r| Show InChI InChI=1S/C20H22N8O2/c1-26-13-23-18(25-26)12-30-19-9-17(20(29)27-8-2-3-15(22)11-27)24-28(19)16-6-4-14(10-21)5-7-16/h4-7,9,13,15H,2-3,8,11-12,22H2,1H3/t15-/m1/s1 | 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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of Fibrinogen receptor binding |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241495
(CHEMBL4079933)Show SMILES COc1ccc(CN(CC(=O)N2CCC(N)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C22H25FN4O2/c1-29-21-7-4-17(12-20(21)23)14-27(19-5-2-16(13-24)3-6-19)15-22(28)26-10-8-18(25)9-11-26/h2-7,12,18H,8-11,14-15,25H2,1H3 | 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 | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241534
(CHEMBL4074550)Show SMILES NCC1CCN(CC1)C(=O)CN(Cc1ccc(cc1)C(N)=O)c1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2/c24-13-17-3-7-21(8-4-17)28(15-19-1-5-20(6-2-19)23(26)30)16-22(29)27-11-9-18(14-25)10-12-27/h1-8,18H,9-12,14-16,25H2,(H2,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241523
(CHEMBL4084823)Show SMILES COc1ccc(CN(CC(=O)N2CCC(F)(CN)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C23H26F2N4O2/c1-31-21-7-4-18(12-20(21)24)14-29(19-5-2-17(13-26)3-6-19)15-22(30)28-10-8-23(25,16-27)9-11-28/h2-7,12H,8-11,14-16,27H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241527
(CHEMBL4098894)Show SMILES NCC1CCN(CC1)C(=O)CN(Cc1cccc(c1)C(N)=O)c1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2/c24-13-17-4-6-21(7-5-17)28(15-19-2-1-3-20(12-19)23(26)30)16-22(29)27-10-8-18(14-25)9-11-27/h1-7,12,18H,8-11,14-16,25H2,(H2,26,30) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242951
(CHEMBL4096682)Show SMILES CCN(CC)C1CCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H28N6O3/c1-4-28(5-2)20-10-11-29(15-20)24(31)22-13-23(32-16-21-12-17(3)27-33-21)30(26-22)19-8-6-18(14-25)7-9-19/h6-9,12-13,20H,4-5,10-11,15-16H2,1-3H3 | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242887
(CHEMBL4080173)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCCC(C2)N2CCCC2)on1 Show InChI InChI=1S/C25H28N6O3/c1-18-13-22(34-28-18)17-33-24-14-23(27-31(24)20-8-6-19(15-26)7-9-20)25(32)30-12-4-5-21(16-30)29-10-2-3-11-29/h6-9,13-14,21H,2-5,10-12,16-17H2,1H3 | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242896
(CHEMBL4093330)Show SMILES Cc1nnc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)o1 |r| Show InChI InChI=1S/C20H21N7O3/c1-13-23-24-18(30-13)12-29-19-9-17(20(28)26-8-2-3-15(22)11-26)25-27(19)16-6-4-14(10-21)5-7-16/h4-7,9,15H,2-3,8,11-12,22H2,1H3/t15-/m1/s1 | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241528
(CHEMBL4071901)Show SMILES NCC1CCN(CC1)C(=O)CN(Cc1ccc(F)cc1)c1ccc(cc1)C#N Show InChI InChI=1S/C22H25FN4O/c23-20-5-1-19(2-6-20)15-27(21-7-3-17(13-24)4-8-21)16-22(28)26-11-9-18(14-25)10-12-26/h1-8,18H,9-12,14-16,25H2 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241497
(CHEMBL4087810)Show SMILES Cc1ccc(CN(CC(=O)N2CCC(N)CC2)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C22H26N4O/c1-17-2-4-19(5-3-17)15-26(21-8-6-18(14-23)7-9-21)16-22(27)25-12-10-20(24)11-13-25/h2-9,20H,10-13,15-16,24H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242885
(CHEMBL4101077)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@@H](N)C2)on1 |r| Show InChI InChI=1S/C20H20N6O3/c1-13-8-17(29-24-13)12-28-19-9-18(20(27)25-7-6-15(22)11-25)23-26(19)16-4-2-14(10-21)3-5-16/h2-5,8-9,15H,6-7,11-12,22H2,1H3/t15-/m1/s1 | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242945
(CHEMBL4073624)Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(=O)N2CCOCC2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H26N6O4/c23-13-16-3-5-18(6-4-16)28-21(32-15-20(29)26-8-10-31-11-9-26)12-19(25-28)22(30)27-7-1-2-17(24)14-27/h3-6,12,17H,1-2,7-11,14-15,24H2/t17-/m1/s1 | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242942
(CHEMBL4092725)Show SMILES CC(O)COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C19H23N5O3/c1-13(25)12-27-18-9-17(19(26)23-8-2-3-15(21)11-23)22-24(18)16-6-4-14(10-20)5-7-16/h4-7,9,13,15,25H,2-3,8,11-12,21H2,1H3/t13?,15-/m1/s1 | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241519
(CHEMBL4073481)Show SMILES COc1cc(NS(=O)(=O)c2ccc3N(CCc3c2)C(C)=O)ccc1-n1nc(C)cc1C Show InChI InChI=1S/C22H24N4O4S/c1-14-11-15(2)26(23-14)21-7-5-18(13-22(21)30-4)24-31(28,29)19-6-8-20-17(12-19)9-10-25(20)16(3)27/h5-8,11-13,24H,9-10H2,1-4H3 | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242895
(CHEMBL4076163)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r| Show InChI InChI=1S/C21H22N6O3/c1-14-9-18(30-25-14)13-29-20-10-19(21(28)26-8-2-3-16(23)12-26)24-27(20)17-6-4-15(11-22)5-7-17/h4-7,9-10,16H,2-3,8,12-13,23H2,1H3/t16-/m1/s1 | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of LSD1 in human THP1 cells assessed as upregulation of CD86 levels by ELISA |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM301063
(4-{3-[((3R)-3- aminopiperidyl)carbonyl]-5-(2- pyri...)Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCc2ccccn2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N6O2/c23-13-16-6-8-19(9-7-16)28-21(30-15-18-5-1-2-10-25-18)12-20(26-28)22(29)27-11-3-4-17(24)14-27/h1-2,5-10,12,17H,3-4,11,14-15,24H2/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of LSD1 in human THP1 cells assessed as upregulation of CD86 levels by ELISA |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242906
(CHEMBL4095757)Show SMILES Cn1ncnc1COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C20H22N8O2/c1-26-18(23-13-24-26)12-30-19-9-17(20(29)27-8-2-3-15(22)11-27)25-28(19)16-6-4-14(10-21)5-7-16/h4-7,9,13,15H,2-3,8,11-12,22H2,1H3/t15-/m1/s1 | 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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242884
(CHEMBL4090735)Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@@H](F)[C@@H](N)C2)on1 |r| Show InChI InChI=1S/C21H21FN6O3/c1-13-8-16(31-26-13)12-30-20-9-19(21(29)27-7-6-17(22)18(24)11-27)25-28(20)15-4-2-14(10-23)3-5-15/h2-5,8-9,17-18H,6-7,11-12,24H2,1H3/t17-,18+/m1/s1 | 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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50242946
(CHEMBL4062278)Show SMILES CN(C)C(=O)COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C20H24N6O3/c1-24(2)18(27)13-29-19-10-17(20(28)25-9-3-4-15(22)12-25)23-26(19)16-7-5-14(11-21)6-8-16/h5-8,10,15H,3-4,9,12-13,22H2,1-2H3/t15-/m1/s1 | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin... |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50241539
(CHEMBL4084845)Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 27: 3190-3195 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50241539
(CHEMBL4084845)Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human hERG by patch clamp method |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50241494
(CHEMBL4079000)Show InChI InChI=1S/C21H24N4O/c22-14-17-6-8-20(9-7-17)25(15-18-4-2-1-3-5-18)16-21(26)24-12-10-19(23)11-13-24/h1-9,19H,10-13,15-16,23H2 | 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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ... |
J Med Chem 60: 7984-7999 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8 |
More data for this Ligand-Target Pair | |