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Compile Data Set for Download or QSAR

Found 5121 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242934
PNG
(CHEMBL4066743)
Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(O)C(F)(F)F)n(n1)-c1ccc(cc1)C#N
Show InChI InChI=1/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?/s2
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n/an/an/a 6n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242895
PNG
(CHEMBL4076163)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1
Show InChI InChI=1/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-/s2
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n/an/an/a 7n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor


(Homo sapiens (Human))
BDBM50262048
PNG
(CHEMBL3134377)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1/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-/s2
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n/an/an/a 8n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241539
PNG
(CHEMBL4084845)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1/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-/s2
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n/an/an/a 9n/an/an/an/an/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
PNG
(CHEMBL4074334)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@H](N)C2)on1
Show InChI InChI=1/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-/s2
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n/an/an/a 13n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242894
PNG
(CHEMBL4074323)
Show SMILES CC(C)c1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1
Show InChI InChI=1/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-/s2
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n/an/an/a 17n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242954
PNG
(CHEMBL4101067)
Show SMILES CCc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1
Show InChI InChI=1/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-/s2
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n/an/an/a 21n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242952
PNG
(CHEMBL4088035)
Show SMILES CC(C)(O)CCOc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1
Show InChI InChI=1/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-/s2
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n/an/an/a 22n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor


(Homo sapiens (Human))
BDBM50262023
PNG
(CHEMBL4071991)
Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/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-/s2
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n/an/an/a 22n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Binding affinity to LSD1 (unknown origin) by SPR analysis


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241533
PNG
(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
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n/an/an/a 32n/an/an/an/an/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
PNG
(CHEMBL4088045)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@H](N)C2)on1
Show InChI InChI=1/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-/s2
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n/an/an/a 32n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242905
PNG
(CHEMBL4103503)
Show SMILES Cc1nc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)no1
Show InChI InChI=1/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-/s2
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n/an/an/a 34n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242886
PNG
(CHEMBL4104407)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCOC(CN)C2)on1
Show InChI InChI=1/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
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n/an/an/a 37n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242953
PNG
(CHEMBL4066749)
Show SMILES CN[C@@H]1CCCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N
Show InChI InChI=1/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-/s2
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n/an/an/a 42n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM301063
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/an/a 42n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50262052
PNG
(CHEMBL4066130)
Show SMILES Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1
Show InChI InChI=1/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-/s2
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n/an/an/a 48n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Binding affinity to LSD1 (unknown origin) by SPR analysis


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241526
PNG
(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
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n/an/an/a 58n/an/an/an/an/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
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/an/a 61n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Binding affinity to LSD1 (unknown origin) by SPR analysis


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242907
PNG
(CHEMBL4077730)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)n(C)n1
Show InChI InChI=1/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-/s2
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n/an/an/a 66n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242891
PNG
(CHEMBL4095768)
Show SMILES CN(C)C1CCCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N
Show InChI InChI=1/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
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n/an/an/a 87n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242883
PNG
(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
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n/an/an/a 97n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor


(Homo sapiens (Human))
BDBM50262070
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/an/a 98n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242890
PNG
(CHEMBL4077739)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2C[C@H]3CCCN[C@H]3C2)on1
Show InChI InChI=1/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+/s2
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n/an/an/a 99n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241535
PNG
(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
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n/an/an/a 110n/an/an/an/an/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/REST corepressor


(Homo sapiens (Human))
BDBM50262045
PNG
(CHEMBL4087724)
Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CC1CCCNC1
Show InChI InChI=1/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-/s2
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n/an/an/a 110n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242884
PNG
(CHEMBL4090735)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@@H](F)[C@@H](N)C2)on1
Show InChI InChI=1/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+/s2
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n/an/an/a 110n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242956
PNG
(CHEMBL4085581)
Show SMILES Cn1cnc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)n1
Show InChI InChI=1/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-/s2
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n/an/an/a 120n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A/REST corepressor


(Homo sapiens (Human))
BDBM50262044
PNG
(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
Show InChI InChI=1/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-/s2
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n/an/an/a 120n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242942
PNG
(CHEMBL4092725)
Show SMILES CC(O)COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1
Show InChI InChI=1/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-/s2
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n/an/an/a 130n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242889
PNG
(CHEMBL4069461)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2C[C@@H]3CCCN[C@@H]3C2)on1
Show InChI InChI=1/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+/s2
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n/an/an/a 140n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241493
PNG
(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
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n/an/an/a 140n/an/an/an/an/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
PNG
(CHEMBL4101077)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@@H](N)C2)on1
Show InChI InChI=1/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-/s2
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n/an/an/a 170n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50262074
PNG
(CHEMBL4105603)
Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CC1CCNCC1
Show InChI InChI=1/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-/s2
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n/an/an/a 190n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Binding affinity to LSD1 (unknown origin) by SPR analysis


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241495
PNG
(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
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n/an/an/a 190n/an/an/an/an/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))
BDBM50242945
PNG
(CHEMBL4073624)
Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(=O)N2CCOCC2)n(n1)-c1ccc(cc1)C#N
Show InChI InChI=1/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-/s2
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n/an/an/a 210n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241523
PNG
(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
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n/an/an/a 230n/an/an/an/an/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))
BDBM50242887
PNG
(CHEMBL4080173)
Show SMILES Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCCC(C2)N2CCCC2)on1
Show InChI InChI=1/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
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n/an/an/a 230n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242948
PNG
(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
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n/an/an/a 240n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242951
PNG
(CHEMBL4096682)
Show SMILES CCN(CC)C1CCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N
Show InChI InChI=1/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
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n/an/an/a 240n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241531
PNG
(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
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n/an/an/a 290n/an/an/an/an/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
PNG
(CHEMBL4095757)
Show SMILES Cn1ncnc1COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1
Show InChI InChI=1/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-/s2
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n/an/an/a 320n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50242896
PNG
(CHEMBL4093330)
Show SMILES Cc1nnc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)o1
Show InChI InChI=1/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-/s2
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n/an/an/a 330n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50441978
PNG
(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
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n/an/an/a 350n/an/an/an/an/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
PNG
(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)
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n/an/an/a 420n/an/an/an/an/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/REST corepressor


(Homo sapiens (Human))
BDBM50262046
PNG
(CHEMBL4079847)
Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@@H]1CCC[C@@H](N)C1
Show InChI InChI=1/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+/s2
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n/an/an/a 430n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241497
PNG
(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
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n/an/an/a 430n/an/an/an/an/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))
BDBM50242957
PNG
(CHEMBL4100451)
Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OC[C@H]2CCC(=O)N2)n(n1)-c1ccc(cc1)C#N
Show InChI InChI=1/C21H24N6O3/c22-11-14-3-6-17(7-4-14)27-20(30-13-16-5-8-19(28)24-16)10-18(25-27)21(29)26-9-1-2-15(23)12-26/h3-4,6-7,10,15-16H,1-2,5,8-9,12-13,23H2,(H,24,28)/t15-,16-/s2
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n/an/an/a 450n/an/an/an/an/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
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241528
PNG
(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
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n/an/an/a 460n/an/an/an/an/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))
BDBM50241534
PNG
(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)
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n/an/an/a 490n/an/an/an/an/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))
BDBM50262072
PNG
(CHEMBL4079770)
Show SMILES CNC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc2n(C)ncc2c1)c1ccc(cc1)C#N
Show InChI InChI=1/C28H33N5O/c1-30-15-20-5-9-22(10-6-20)28(34)33-17-25(21-7-3-19(14-29)4-8-21)26(18-33)23-11-12-27-24(13-23)16-31-32(27)2/h3-4,7-8,11-13,16,20,22,25-26,30H,5-6,9-10,15,17-18H2,1-2H3/t20-,22-,25-,26-/s2
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n/an/an/a 540n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Binding affinity to LSD1 (unknown origin) by SPR analysis


Bioorg Med Chem Lett 27: 4755-4759 (2017)

More data for this
Ligand-Target Pair
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