Found 98 hits of kd data for polymerid = 5309 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50503631
(CHEMBL4436792)Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1 Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Xinxiang Medical University
Curated by ChEMBL
| Assay Description Binding affinity to full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) assessed as dissociation rate constant by SPR assay |
Bioorg Med Chem 26: 6000-6014 (2018)
Article DOI: 10.1016/j.bmc.2018.10.037 BindingDB Entry DOI: 10.7270/Q23T9MGZ |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50503631
(CHEMBL4436792)Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1 Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a |
Xinxiang Medical University
Curated by ChEMBL
| Assay Description Binding affinity to full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) by SPR assay |
Bioorg Med Chem 26: 6000-6014 (2018)
Article DOI: 10.1016/j.bmc.2018.10.037 BindingDB Entry DOI: 10.7270/Q23T9MGZ |
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 | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50262048
(CHEMBL3134377)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-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
More data for this Ligand-Target Pair | |
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 | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes. |
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)) | 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 | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | 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 | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50262023
(CHEMBL4071991)Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)23-12-6-20(15-28)7-13-23)17-25(24)22-10-4-19(14-27)5-11-22/h2-5,8-11,20,23-25H,6-7,12-13,15-17,28H2,1H3/t20-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
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 | n/a | 32 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
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)) | 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 | n/a | 32 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | 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 | n/a | 37 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | 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 | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50262052
(CHEMBL4066130)Show SMILES Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:25.28,14.17,wD:10.11,28.32,(69.23,-20.88,;69.38,-22.41,;70.71,-23.2,;70.37,-24.71,;68.83,-24.85,;67.91,-26.09,;66.38,-25.9,;65.77,-24.49,;66.68,-23.26,;68.22,-23.44,;65.45,-27.14,;65.91,-28.61,;64.65,-29.51,;63.42,-28.58,;63.91,-27.12,;63.02,-25.86,;63.66,-24.46,;62.78,-23.2,;61.24,-23.35,;60.59,-24.74,;61.49,-26,;60.36,-22.09,;59.46,-20.82,;64.63,-31.05,;63.29,-31.8,;65.96,-31.83,;67.29,-31.07,;68.61,-31.86,;68.6,-33.4,;69.92,-34.18,;69.9,-35.72,;67.25,-34.15,;65.94,-33.36,)| Show InChI InChI=1S/C27H31N5O/c1-31-26-11-10-22(12-23(26)15-30-31)25-17-32(27(33)21-8-4-19(14-29)5-9-21)16-24(25)20-6-2-18(13-28)3-7-20/h2-3,6-7,10-12,15,19,21,24-25H,4-5,8-9,14,16-17,29H2,1H3/t19-,21-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
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 | n/a | 58 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
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)) | BDBM50262071
(CHEMBL4100487)Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)C[C@@H]1CC[C@H](N)CC1 |r,wU:23.25,11.13,26.29,wD:7.7,(42.56,-23.35,;41.63,-24.6,;40.1,-24.42,;39.18,-25.65,;39.8,-27.06,;41.32,-27.25,;42.24,-26.01,;38.86,-28.29,;39.33,-29.76,;38.07,-30.66,;36.84,-29.73,;37.33,-28.27,;36.44,-27.02,;37.08,-25.62,;36.2,-24.37,;34.66,-24.51,;34.01,-25.91,;34.91,-27.16,;33.78,-23.25,;32.88,-21.98,;38.05,-32.2,;36.71,-32.94,;39.37,-32.98,;39.35,-34.52,;38.01,-35.26,;37.98,-36.8,;39.3,-37.59,;39.28,-39.12,;40.65,-36.84,;40.68,-35.3,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)14-19-6-12-23(28)13-7-19)17-25(24)22-10-4-20(15-27)5-11-22/h2-5,8-11,19,23-25H,6-7,12-14,16-17,28H2,1H3/t19-,23+,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
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 | n/a | 66 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | 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 | n/a | 87 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 97 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50262070
(CHEMBL4092760)Show SMILES CNC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(cc1)C#N)c1ccc(C)cc1 |r,wU:6.9,14.17,wD:13.26,3.2,(42.42,-38.85,;41.1,-38.06,;41.12,-36.52,;39.8,-35.74,;39.81,-34.2,;38.49,-33.41,;37.15,-34.17,;37.13,-35.7,;38.45,-36.49,;35.83,-33.39,;34.48,-34.13,;35.85,-31.84,;37.11,-30.94,;36.65,-29.47,;35.1,-29.45,;34.62,-30.91,;34.22,-28.19,;34.85,-26.79,;33.97,-25.53,;32.43,-25.67,;31.78,-27.08,;32.68,-28.33,;31.55,-24.42,;30.65,-23.14,;37.58,-28.24,;36.96,-26.82,;37.88,-25.58,;39.41,-25.77,;40.35,-24.52,;40.03,-27.18,;39.11,-28.42,)| Show InChI InChI=1S/C27H33N3O/c1-19-3-9-22(10-4-19)25-17-30(18-26(25)23-11-5-20(15-28)6-12-23)27(31)24-13-7-21(8-14-24)16-29-2/h3-6,9-12,21,24-26,29H,7-8,13-14,16-18H2,1-2H3/t21-,24-,25-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
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 | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50262045
(CHEMBL4087724)Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CC1CCCNC1 |r| Show InChI InChI=1S/C25H29N3O/c1-18-4-8-21(9-5-18)23-16-28(25(29)13-20-3-2-12-27-15-20)17-24(23)22-10-6-19(14-26)7-11-22/h4-11,20,23-24,27H,2-3,12-13,15-17H2,1H3/t20?,23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
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 | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
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)) | 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 | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of 125 I-Fibrinogen binding to Fibrinogen receptor |
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)) | BDBM50262044
(CHEMBL4082476)Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)C[C@H]1CC[C@H](N)CC1 |r,wU:11.13,26.29,wD:7.7,23.25,(42.56,-23.35,;41.63,-24.6,;40.1,-24.42,;39.18,-25.65,;39.8,-27.06,;41.32,-27.25,;42.24,-26.01,;38.86,-28.29,;39.33,-29.76,;38.07,-30.66,;36.84,-29.73,;37.33,-28.27,;36.44,-27.02,;37.08,-25.62,;36.2,-24.37,;34.66,-24.51,;34.01,-25.91,;34.91,-27.16,;33.78,-23.25,;32.88,-21.98,;38.05,-32.2,;36.71,-32.94,;39.37,-32.98,;39.35,-34.52,;38.01,-35.26,;37.98,-36.8,;39.3,-37.59,;39.28,-39.12,;40.65,-36.84,;40.68,-35.3,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)14-19-6-12-23(28)13-7-19)17-25(24)22-10-4-20(15-27)5-11-22/h2-5,8-11,19,23-25H,6-7,12-14,16-17,28H2,1H3/t19-,23-,24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
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 | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50346870
(CHEMBL1797647)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C93H169N35O28S/c1-45(2)41-62(83(148)113-49(6)90(155)156)123-79(144)59(28-30-65(98)133)119-75(140)54(22-12-15-34-95)117-77(142)57(25-18-37-107-92(102)103)121-85(150)64-27-20-39-128(64)89(154)48(5)112-74(139)53(21-11-14-33-94)114-68(136)43-109-67(135)42-110-86(151)69(50(7)130)125-84(149)63(44-129)124-78(143)55(23-13-16-35-96)118-76(141)56(24-17-36-106-91(100)101)116-73(138)47(4)111-87(152)70(51(8)131)126-82(147)60(29-31-66(99)134)120-80(145)61(32-40-157-10)122-88(153)71(52(9)132)127-81(146)58(115-72(137)46(3)97)26-19-38-108-93(104)105/h45-64,69-71,129-132H,11-44,94-97H2,1-10H3,(H2,98,133)(H2,99,134)(H,109,135)(H,110,151)(H,111,152)(H,112,139)(H,113,148)(H,114,136)(H,115,137)(H,116,138)(H,117,142)(H,118,141)(H,119,140)(H,120,145)(H,121,150)(H,122,153)(H,123,144)(H,124,143)(H,125,149)(H,126,147)(H,127,146)(H,155,156)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/t46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114143 BindingDB Entry DOI: 10.7270/Q28W3J9V |
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 | n/a | 140 | 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)) | 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 | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
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 | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
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)) | BDBM50262074
(CHEMBL4105603)Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CC1CCNCC1 |r| Show InChI InChI=1S/C25H29N3O/c1-18-2-6-21(7-3-18)23-16-28(25(29)14-19-10-12-27-13-11-19)17-24(23)22-8-4-20(15-26)5-9-22/h2-9,19,23-24,27H,10-14,16-17H2,1H3/t23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
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 | n/a | 210 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | 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 | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
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 | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50582461
(CHEMBL5093633)Show SMILES Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Biological activity against Oxytocin receptor in rat |
Citation and Details
|
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 | n/a | 240 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50507295
(CHEMBL1232432)Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Show InChI InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31) | 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 | n/a | 243 | n/a | n/a | n/a | n/a | n/a |
Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) |
Eur J Med Chem 162: 555-567 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.035 BindingDB Entry DOI: 10.7270/Q25D8W4W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
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)) | 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 | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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 | n/a | 330 | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis |
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)) | BDBM50441978
(CHEMBL2334501)Show SMILES Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1 Show InChI InChI=1S/C21H29N5O2S2/c1-16-5-7-17(8-6-16)13-26-14-18(22-23-26)15-30-20(29)25-11-9-24(10-12-25)19(27)28-21(2,3)4/h5-8,14H,9-13,15H2,1-4H3 | 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 | n/a | 350 | n/a | n/a | n/a | n/a | n/a |
Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant LSD1 (157 to 852 aa) expressed in Escherichia coli BL21(DE) by microscale thermophoresis assay |
J Med Chem 56: 8543-60 (2013)
Article DOI: 10.1021/jm401002r BindingDB Entry DOI: 10.7270/Q2XD1333 |
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 | n/a | 420 | 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)) | BDBM50262046
(CHEMBL4079847)Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@@H]1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H29N3O/c1-17-5-9-19(10-6-17)23-15-28(25(29)21-3-2-4-22(27)13-21)16-24(23)20-11-7-18(14-26)8-12-20/h5-12,21-24H,2-4,13,15-16,27H2,1H3/t21-,22-,23+,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk.
Curated by ChEMBL
| Assay Description Binding affinity to LSD1 (unknown origin) by SPR analysis |
Bioorg Med Chem Lett 27: 4755-4759 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT |
More data for this Ligand-Target Pair | |