Found 218 hits with Last Name = 'fattori' and Initial = 'r' 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 |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219407
(CHEMBL84350)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C21H23Cl2N3O4S/c1-29-20-8-7-14-16(21(20)30-13-5-3-4-6-13)12-26(31(2,27)28)25-19(14)9-15-17(22)10-24-11-18(15)23/h7-8,10-11,13H,3-6,9,12H2,1-2H3 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219414
(CHEMBL79661)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C16H15Cl2N3O3S/c1-24-11-3-4-12-10(5-11)9-21(25(2,22)23)20-16(12)6-13-14(17)7-19-8-15(13)18/h3-5,7-8H,6,9H2,1-2H3 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219411
(CHEMBL82934)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16| Show InChI InChI=1S/C16H14Cl2N4O2/c1-24-10-2-3-11-9(4-10)8-22(16(19)23)21-15(11)5-12-13(17)6-20-7-14(12)18/h2-4,6-7H,5,8H2,1H3,(H2,19,23) | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219417
(CHEMBL421343)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16| Show InChI InChI=1S/C22H23Cl2N3O3/c1-13(28)27-12-17-15(20(26-27)9-16-18(23)10-25-11-19(16)24)7-8-21(29-2)22(17)30-14-5-3-4-6-14/h7-8,10-11,14H,3-6,9,12H2,1-2H3 | PDB
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| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219409
(CHEMBL354743)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C=O |c:16| Show InChI InChI=1S/C16H13Cl2N3O2/c1-23-11-2-3-12-10(4-11)8-21(9-22)20-16(12)5-13-14(17)6-19-7-15(13)18/h2-4,6-7,9H,5,8H2,1H3 | PDB
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| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218260
(CHEMBL70391)Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3 | PDB
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| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219404
(CHEMBL79739)Show SMILES COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C17H15Cl2N3O3/c1-24-11-3-4-12-10(5-11)9-22(17(23)25-2)21-16(12)6-13-14(18)7-20-8-15(13)19/h3-5,7-8H,6,9H2,1-2H3 | PDB
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| 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219406
(CHEMBL309420)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)NO |c:16| Show InChI InChI=1S/C16H14Cl2N4O3/c1-25-10-2-3-11-9(4-10)8-22(16(23)21-24)20-15(11)5-12-13(17)6-19-7-14(12)18/h2-4,6-7,24H,5,8H2,1H3,(H,21,23) | PDB
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| 208 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219413
(CHEMBL81226)Show SMILES CCOC(=O)C(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:28| Show InChI InChI=1S/C19H17Cl2N3O4/c1-3-28-19(26)18(25)24-10-11-6-12(27-2)4-5-13(11)17(23-24)7-14-15(20)8-22-9-16(14)21/h4-6,8-9H,3,7,10H2,1-2H3 | PDB
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| 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219405
(CHEMBL81020)Show SMILES CNC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C17H16Cl2N4O2/c1-20-17(24)23-9-10-5-11(25-2)3-4-12(10)16(22-23)6-13-14(18)7-21-8-15(13)19/h3-5,7-8H,6,9H2,1-2H3,(H,20,24) | PDB
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| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219410
(CHEMBL311025)Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C18H17Cl2N3O2/c1-3-18(24)23-10-11-6-12(25-2)4-5-13(11)17(22-23)7-14-15(19)8-21-9-16(14)20/h4-6,8-9H,3,7,10H2,1-2H3 | PDB
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| 237 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219408
(CHEMBL84115)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(C)=O |c:16| Show InChI InChI=1S/C17H15Cl2N3O2/c1-10(23)22-9-11-5-12(24-2)3-4-13(11)17(21-22)6-14-15(18)7-20-8-16(14)19/h3-5,7-8H,6,9H2,1-2H3 | PDB
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| 397 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219416
(CHEMBL167389)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)N(C)C |c:16| Show InChI InChI=1S/C18H18Cl2N4O2/c1-23(2)18(25)24-10-11-6-12(26-3)4-5-13(11)17(22-24)7-14-15(19)8-21-9-16(14)20/h4-6,8-9H,7,10H2,1-3H3 | PDB
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| 473 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219412
(CHEMBL82882)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16| Show InChI InChI=1S/C19H19Cl2N3O2/c1-11(2)19(25)24-10-12-6-13(26-3)4-5-14(12)18(23-24)7-15-16(20)8-22-9-17(15)21/h4-6,8-9,11H,7,10H2,1-3H3 | PDB
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| 498 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236453
(CHEMBL4068323)Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31) | PDB
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Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibitory activity against beta-glucosidase of sweet almond |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236360
(CHEMBL4066708)Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19) | PDB
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| 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated fo... |
J Med Chem 60: 1673-1692 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236359
(CHEMBL4086085)Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15... |
J Med Chem 60: 1673-1692 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540648
(CHEMBL4639944)Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C28H34N4OS/c1-31-25-13-17-34-27(25)18-26(31)28-30-24(21-5-2-6-21)19-32(28)16-3-4-20-7-9-22(10-8-20)33-23-11-14-29-15-12-23/h7-10,13,17-19,21,23,29H,2-6,11-12,14-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540639
(CHEMBL4632810)Show SMILES CCCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4O2S/c1-3-5-20-19-31(27(29-20)25-18-26-24(30(25)2)12-17-34-26)15-16-32-21-7-9-23(10-8-21)33-22-6-4-13-28-14-11-22/h7-10,12,17-19,22,28H,3-6,11,13-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540643
(CHEMBL4639941)Show SMILES CCCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C28H36N4OS/c1-3-6-22-20-32(28(30-22)26-19-27-25(31(26)2)14-18-34-27)17-5-7-21-9-11-24(12-10-21)33-23-8-4-15-29-16-13-23/h9-12,14,18-20,23,29H,3-8,13,15-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540640
(CHEMBL4641768)Show SMILES CCCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C28H36N4OS/c1-3-5-23-19-32(28(30-23)26-18-27-25(31(26)2)13-17-34-27)16-4-6-21-7-9-24(10-8-21)33-20-22-11-14-29-15-12-22/h7-10,13,17-19,22,29H,3-6,11-12,14-16,20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540649
(CHEMBL4642214)Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C29H36N4OS/c1-32-26-14-18-35-28(26)19-27(32)29-31-25(22-6-2-7-22)20-33(29)17-4-5-21-9-11-24(12-10-21)34-23-8-3-15-30-16-13-23/h9-12,14,18-20,22-23,30H,2-8,13,15-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540655
(CHEMBL4635889)Show SMILES CCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-21-19-31(27(29-21)25-18-26-24(30(25)2)13-17-33-26)16-5-6-20-8-10-23(11-9-20)32-22-7-4-14-28-15-12-22/h8-11,13,17-19,22,28H,3-7,12,14-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540642
(CHEMBL4649085)Show SMILES CCCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-5-21-19-31(27(29-21)25-18-26-24(30(25)2)13-17-33-26)16-4-6-20-7-9-22(10-8-20)32-23-11-14-28-15-12-23/h7-10,13,17-19,23,28H,3-6,11-12,14-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540644
(CHEMBL4639413)Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540638
(CHEMBL4649563)Show SMILES CCCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4O2S/c1-3-4-19-18-30(26(28-19)24-17-25-23(29(24)2)11-16-33-25)14-15-31-20-5-7-21(8-6-20)32-22-9-12-27-13-10-22/h5-8,11,16-18,22,27H,3-4,9-10,12-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540645
(CHEMBL4645937)Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C28H34N4O2S/c1-31-25-12-17-35-27(25)18-26(31)28-30-24(20-4-2-5-20)19-32(28)15-16-33-21-7-9-23(10-8-21)34-22-6-3-13-29-14-11-22/h7-10,12,17-20,22,29H,2-6,11,13-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540646
(CHEMBL4634153)Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C29H36N4OS/c1-32-26-13-17-35-28(26)18-27(32)29-31-25(23-5-2-6-23)19-33(29)16-3-4-21-7-9-24(10-8-21)34-20-22-11-14-30-15-12-22/h7-10,13,17-19,22-23,30H,2-6,11-12,14-16,20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540654
(CHEMBL4642738)Show SMILES CCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4OS/c1-3-20-18-30(26(28-20)24-17-25-23(29(24)2)12-16-32-25)15-4-5-19-6-8-21(9-7-19)31-22-10-13-27-14-11-22/h6-9,12,16-18,22,27H,3-5,10-11,13-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540653
(CHEMBL4637660)Show SMILES CCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4OS/c1-3-21-17-30(26(28-21)24-15-25-23(29(24)2)11-14-32-25)13-4-5-19-6-8-22(9-7-19)31-18-20-10-12-27-16-20/h6-9,11,14-15,17,20,27H,3-5,10,12-13,16,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540641
(CHEMBL4636234)Show SMILES CCCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-5-22-18-31(27(29-22)25-16-26-24(30(25)2)12-15-33-26)14-4-6-20-7-9-23(10-8-20)32-19-21-11-13-28-17-21/h7-10,12,15-16,18,21,28H,3-6,11,13-14,17,19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540651
(CHEMBL4645131)Show SMILES CCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C26H32N4O2S/c1-3-19-18-30(26(28-19)24-17-25-23(29(24)2)11-16-33-25)14-15-31-20-6-8-22(9-7-20)32-21-5-4-12-27-13-10-21/h6-9,11,16-18,21,27H,3-5,10,12-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540652
(CHEMBL4638582)Show SMILES CCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C27H34N4OS/c1-3-22-18-31(27(29-22)25-17-26-24(30(25)2)12-16-33-26)15-4-5-20-6-8-23(9-7-20)32-19-21-10-13-28-14-11-21/h6-9,12,16-18,21,28H,3-5,10-11,13-15,19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50155773
(CHEMBL3781751 | US9469597, 5)Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540647
(CHEMBL4641915)Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNC2)cc1)C1CCC1 Show InChI InChI=1S/C28H34N4OS/c1-31-25-12-15-34-27(25)16-26(31)28-30-24(22-5-2-6-22)18-32(28)14-3-4-20-7-9-23(10-8-20)33-19-21-11-13-29-17-21/h7-10,12,15-16,18,21-22,29H,2-6,11,13-14,17,19H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM254603
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2... |
J Med Chem 60: 1673-1692 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50540650
(CHEMBL4640188)Show SMILES CCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C Show InChI InChI=1S/C25H30N4O2S/c1-3-18-17-29(25(27-18)23-16-24-22(28(23)2)10-15-32-24)13-14-30-19-4-6-20(7-5-19)31-21-8-11-26-12-9-21/h4-7,10,15-17,21,26H,3,8-9,11-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology IRCCS
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay |
ACS Med Chem Lett 11: 754-759 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219407
(CHEMBL84350)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C21H23Cl2N3O4S/c1-29-20-8-7-14-16(21(20)30-13-5-3-4-6-13)12-26(31(2,27)28)25-19(14)9-15-17(22)10-24-11-18(15)23/h7-8,10-11,13H,3-6,9,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236447
(CHEMBL4069817)Show SMILES CCn1c(cc2sccc12)C(=O)Nc1cccc(COC)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236444
(CHEMBL4090812)Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236441
(CHEMBL4072541)Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C28H31N3O4S/c1-31-25-11-13-36-27(25)14-26(31)28(32)30-24-5-3-4-20(17-33-2)23(24)18-35-22-8-6-21(7-9-22)34-16-19-10-12-29-15-19/h3-9,11,13-14,19,29H,10,12,15-18H2,1-2H3,(H,30,32)/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219418
(CHEMBL450274)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)Cc1ccccc1 |c:16| Show InChI InChI=1S/C23H19Cl2N3O2/c1-30-17-7-8-18-16(10-17)14-28(23(29)9-15-5-3-2-4-6-15)27-22(18)11-19-20(24)12-26-13-21(19)25/h2-8,10,12-13H,9,11,14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236456
(CHEMBL4081995)Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219414
(CHEMBL79661)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C16H15Cl2N3O3S/c1-24-11-3-4-12-10(5-11)9-21(25(2,22)23)20-16(12)6-13-14(17)7-19-8-15(13)18/h3-5,7-8H,6,9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236457
(CHEMBL4074211)Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNC2)cc1 Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30) | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219412
(CHEMBL82882)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16| Show InChI InChI=1S/C19H19Cl2N3O2/c1-11(2)19(25)24-10-12-6-13(26-3)4-5-14(12)18(23-24)7-15-16(20)8-22-9-17(15)21/h4-6,8-9,11H,7,10H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
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