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Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'fattori' and Initial = 'r'   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
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)
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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
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)
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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219407
PNG
(CHEMBL84350)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16|
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5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50346088
PNG
((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-
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38n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219414
PNG
(CHEMBL79661)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16|
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60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219411
PNG
(CHEMBL82934)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16|
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63n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219417
PNG
(CHEMBL421343)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16|
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128n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219409
PNG
(CHEMBL354743)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C=O |c:16|
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138n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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149n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219404
PNG
(CHEMBL79739)
Show SMILES COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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199n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219406
PNG
(CHEMBL309420)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)NO |c:16|
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208n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219413
PNG
(CHEMBL81226)
Show SMILES CCOC(=O)C(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:28|
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212n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219405
PNG
(CHEMBL81020)
Show SMILES CNC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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235n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219410
PNG
(CHEMBL311025)
Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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237n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219408
PNG
(CHEMBL84115)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(C)=O |c:16|
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397n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219416
PNG
(CHEMBL167389)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)N(C)C |c:16|
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473n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219412
PNG
(CHEMBL82882)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16|
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498n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236453
PNG
(CHEMBL4068323)
Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1
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2.30E+3n/an/an/an/an/an/an/an/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
3D Structure (crystal)
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236360
PNG
(CHEMBL4066708)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
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4.30E+4n/an/an/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
3D Structure (crystal)
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236359
PNG
(CHEMBL4086085)
Show SMILES CC(=O)c1ccc(CN2CCC3(C2)CCNCC3)cc1
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4.84E+4n/an/an/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50155773
PNG
(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=1/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+/s2
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n/an/a 0.380n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM254603
PNG
(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
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n/an/a 0.600n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
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)
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n/an/a 1n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219407
PNG
(CHEMBL84350)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16|
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n/an/a 2n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236447
PNG
(CHEMBL4069817)
Show SMILES CCn1c(cc2sccc12)C(=O)Nc1cccc(COC)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
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n/an/a 6.70n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
3D Structure (crystal)
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236444
PNG
(CHEMBL4090812)
Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
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n/an/a 7.80n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
3D Structure (crystal)
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236441
PNG
(CHEMBL4072541)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
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n/an/a 8.40n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219418
PNG
(CHEMBL450274)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)Cc1ccccc1 |c:16|
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n/an/a 12n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236456
PNG
(CHEMBL4081995)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
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n/an/a 18n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219414
PNG
(CHEMBL79661)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16|
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n/an/a 21n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236457
PNG
(CHEMBL4074211)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNC2)cc1
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n/an/a 22n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219412
PNG
(CHEMBL82882)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16|
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n/an/a 25n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219410
PNG
(CHEMBL311025)
Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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n/an/a 28n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236451
PNG
(CHEMBL4080514)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCCNCC2)cc1
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n/an/a 29n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219417
PNG
(CHEMBL421343)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16|
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n/an/a 30n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219415
PNG
(CHEMBL83872)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)c1ccccc1 |c:16|
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n/an/a 30n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219411
PNG
(CHEMBL82934)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16|
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n/an/a 36n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219408
PNG
(CHEMBL84115)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(C)=O |c:16|
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n/an/a 51n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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n/an/a 53n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236468
PNG
(CHEMBL4061143)
Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
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n/an/a 56n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236459
PNG
(CHEMBL4100964)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNCC2)cc1
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n/an/a 64n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236469
PNG
(CHEMBL4083022)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1cccc(CN2CCOCC2)c1COc1ccc(OC2CCNCC2)cc1
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n/an/a 65n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236470
PNG
(CHEMBL4099458)
Show SMILES CC(C)OCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
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n/an/a 66n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219404
PNG
(CHEMBL79739)
Show SMILES COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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n/an/a 72n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50346088
PNG
((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-
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n/an/a 73n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236467
PNG
(CHEMBL4073106)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
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n/an/a 75n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter


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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219406
PNG
(CHEMBL309420)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)NO |c:16|
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n/an/a 85n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236452
PNG
(CHEMBL4098535)
Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@H]2CCNC2)cc1 |r|
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n/an/a 86n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50236443
PNG
(CHEMBL4082148)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNCC2)cc1
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n/an/a 90n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL




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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219413
PNG
(CHEMBL81226)
Show SMILES CCOC(=O)C(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:28|
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n/an/a 113n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




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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