Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50210048' 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)) | BDBM50210048
(CHEMBL3884919)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C57H93N17O14S2/c1-33(2)30-39-49(80)72-44(34(3)4)52(83)67-37(18-11-23-64-55(61)62)46(77)68-38(53(84)73-24-12-19-42(73)45(58)76)16-8-9-21-65-56(85)87-26-28-89-90-29-27-88-57(86)74-25-13-20-43(74)51(82)66-36(17-10-22-63-54(59)60)47(78)71-41(32-75)50(81)70-40(48(79)69-39)31-35-14-6-5-7-15-35/h5-7,14-15,33-34,36-44,75H,8-13,16-32H2,1-4H3,(H2,58,76)(H,65,85)(H,66,82)(H,67,83)(H,68,77)(H,69,79)(H,70,81)(H,71,78)(H,72,80)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll... |
Bioorg Med Chem 25: 1227-1234 (2017)
Article DOI: 10.1016/j.bmc.2016.12.033 BindingDB Entry DOI: 10.7270/Q2X92D9V |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50210048
(CHEMBL3884919)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C57H93N17O14S2/c1-33(2)30-39-49(80)72-44(34(3)4)52(83)67-37(18-11-23-64-55(61)62)46(77)68-38(53(84)73-24-12-19-42(73)45(58)76)16-8-9-21-65-56(85)87-26-28-89-90-29-27-88-57(86)74-25-13-20-43(74)51(82)66-36(17-10-22-63-54(59)60)47(78)71-41(32-75)50(81)70-40(48(79)69-39)31-35-14-6-5-7-15-35/h5-7,14-15,33-34,36-44,75H,8-13,16-32H2,1-4H3,(H2,58,76)(H,65,85)(H,66,82)(H,67,83)(H,68,77)(H,69,79)(H,70,81)(H,71,78)(H,72,80)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll... |
Bioorg Med Chem 25: 1227-1234 (2017)
Article DOI: 10.1016/j.bmc.2016.12.033 BindingDB Entry DOI: 10.7270/Q2X92D9V |
More data for this Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50210048
(CHEMBL3884919)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C57H93N17O14S2/c1-33(2)30-39-49(80)72-44(34(3)4)52(83)67-37(18-11-23-64-55(61)62)46(77)68-38(53(84)73-24-12-19-42(73)45(58)76)16-8-9-21-65-56(85)87-26-28-89-90-29-27-88-57(86)74-25-13-20-43(74)51(82)66-36(17-10-22-63-54(59)60)47(78)71-41(32-75)50(81)70-40(48(79)69-39)31-35-14-6-5-7-15-35/h5-7,14-15,33-34,36-44,75H,8-13,16-32H2,1-4H3,(H2,58,76)(H,65,85)(H,66,82)(H,67,83)(H,68,77)(H,69,79)(H,70,81)(H,71,78)(H,72,80)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins foll... |
Bioorg Med Chem 25: 1227-1234 (2017)
Article DOI: 10.1016/j.bmc.2016.12.033 BindingDB Entry DOI: 10.7270/Q2X92D9V |
More data for this Ligand-Target Pair | |