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Compile Data Set for Download or QSAR

Found 362 hits with Last Name = 'case' and Initial = 'a'   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367249
PNG
(CHEMBL309601)
Show SMILES C[C@H](NP(O)(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C16H23N2O5P/c1-12(15(19)18-10-5-8-14(18)16(20)21)17-24(22,23)11-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,21)(H2,17,22,23)/t12-,14-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Angiotensin I converting enzyme


J Med Chem 28: 393-9 (1985)


Article DOI: 10.1021/jm00381a021
BindingDB Entry DOI: 10.7270/Q28W3DWT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020843
PNG
(2-[(2S)-2-carboxypyrrolidin-1-yl]-1-methyl-2-oxoet...)
Show SMILES C[C@@H](NP([O-])([O-])=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H15N2O6P/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)(H3,9,14,15,16)/p-2/t5-,6+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Angiotensin I converting enzyme


J Med Chem 28: 393-9 (1985)


Article DOI: 10.1021/jm00381a021
BindingDB Entry DOI: 10.7270/Q28W3DWT
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113742
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)
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59n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113753
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)b...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25)
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100n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113750
PNG
((2E)-N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylprop-...)
Show SMILES NNCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+
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100n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113745
PNG
(4-(4-Fluorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H22FN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)
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138n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113744
PNG
(4-(4-Chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H22ClN3O/c19-16-8-4-14(5-9-16)2-1-3-18(23)22-17-10-6-15(7-11-17)12-13-21-20/h4-11,21H,1-3,12-13,20H2,(H,22,23)
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156n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113748
PNG
(2-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopro...)
Show SMILES CS(=O)(=O)Oc1ccccc1CCC(=O)Nc1ccc(CCNN)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-26(23,24)25-17-5-3-2-4-15(17)8-11-18(22)21-16-9-6-14(7-10-16)12-13-20-19/h2-7,9-10,20H,8,11-13,19H2,1H3,(H,21,22)
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204n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113746
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl...)
Show SMILES COc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1
Show InChI InChI=1S/C19H25N3O2/c1-24-18-11-7-15(8-12-18)3-2-4-19(23)22-17-9-5-16(6-10-17)13-14-21-20/h5-12,21H,2-4,13-14,20H2,1H3,(H,22,23)
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207n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113752
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)p...)
Show SMILES NNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C19H22N4O/c20-22-12-11-14-5-8-16(9-6-14)23-19(24)10-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,8-9,13,21-22H,7,10-12,20H2,(H,23,24)
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210n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113749
PNG
(3-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopro...)
Show SMILES CS(=O)(=O)Oc1cccc(CCC(=O)Nc2ccc(CCNN)cc2)c1
Show InChI InChI=1S/C18H23N3O4S/c1-26(23,24)25-17-4-2-3-15(13-17)7-10-18(22)21-16-8-5-14(6-9-16)11-12-20-19/h2-6,8-9,13,20H,7,10-12,19H2,1H3,(H,21,22)
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223n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113741
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylpropanamid...)
Show SMILES NNCCc1ccc(NC(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C17H21N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-7,9-10,19H,8,11-13,18H2,(H,20,21)
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260n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113743
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-5-phenylpentanamid...)
Show SMILES NNCCc1ccc(NC(=O)CCCCc2ccccc2)cc1
Show InChI InChI=1S/C19H25N3O/c20-21-15-14-17-10-12-18(13-11-17)22-19(23)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-13,21H,4-5,8-9,14-15,20H2,(H,22,23)
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260n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113739
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydroch...)
Show SMILES NNCCc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H17N3O/c16-17-11-10-12-6-8-14(9-7-12)18-15(19)13-4-2-1-3-5-13/h1-9,17H,10-11,16H2,(H,18,19)
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280n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113747
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-nitrophenyl)b...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O3/c19-20-13-12-15-4-8-16(9-5-15)21-18(23)3-1-2-14-6-10-17(11-7-14)22(24)25/h4-11,20H,1-3,12-13,19H2,(H,21,23)
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282n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113740
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-2-phenylacetamide ...)
Show SMILES NNCCc1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C16H19N3O/c17-18-11-10-13-6-8-15(9-7-13)19-16(20)12-14-4-2-1-3-5-14/h1-9,18H,10-12,17H2,(H,19,20)
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370n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1)


(Mus musculus (Mouse))
BDBM53441
PNG
(MLS001000876 | N-(1H-benzimidazol-2-yl)-3-chlorany...)
Show SMILES Clc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10ClN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19)
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400 -36.5 880n/an/an/an/a7.625



Brigham and Women's Hospital



Assay Description
Inhibition activity and selectivity for UCH-L1 and UCH-L3.


Chem Biol 10: 837-46 (2003)


Article DOI: 10.1016/j.chembiol.2003.08.010
BindingDB Entry DOI: 10.7270/Q20Z71P9
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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500n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Rattus norvegicus)
BDBM50369827
PNG
(CHEMBL611536)
Show SMILES NCCC=NC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C13H19N7O3/c14-2-1-3-16-4-7-9(21)10(22)13(23-7)20-6-19-8-11(15)17-5-18-12(8)20/h3,5-7,9-10,13,21-22H,1-2,4,14H2,(H2,15,17,18)/b16-3+/t7-,9-,10-,13?/s2
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560n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver form of S-adenosyl-methionine decarboxylase enzyme


J Med Chem 44: 1-26 (2001)


Article DOI: 10.1021/jm000084m
BindingDB Entry DOI: 10.7270/Q28S4QNR
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411563
PNG
(CHEMBL540117)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H12N2O4S/c20-14-12-8-13(19(24)25)17(23)21-18(12)26-16(14)15(22)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,20H2,(H,21,23)(H,24,25)
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740n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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820n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113751
PNG
({3-[4-(Benxyloxy)phenyl]propyl}hydrazine dihydroch...)
Show SMILES NNCCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H20N2O/c17-18-12-4-7-14-8-10-16(11-9-14)19-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-13,17H2
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900n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411574
PNG
(CHEMBL553923)
Show SMILES Cc1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C16H12N2O4S/c1-7-2-4-8(5-3-7)12(19)13-11(17)9-6-10(16(21)22)14(20)18-15(9)23-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)
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910n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
S-adenosylmethionine decarboxylase 1


(Homo sapiens (Human))
BDBM50046201
PNG
((2E)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}...)
Show SMILES CC(C=NNC(N)=N)=NN=C(N)N
Show InChI InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+
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>1.00E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of rat liver form of S-adenosyl-methionine decarboxylase enzyme


J Med Chem 44: 1-26 (2001)


Article DOI: 10.1021/jm000084m
BindingDB Entry DOI: 10.7270/Q28S4QNR
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411577
PNG
(CHEMBL536998)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9ClN2O4S/c16-7-3-1-6(2-4-7)11(19)12-10(17)8-5-9(15(21)22)13(20)18-14(8)23-12/h1-5H,17H2,(H,18,20)(H,21,22)
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1.20E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444693
PNG
(CHEMBL3098944)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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1.40E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411568
PNG
(CHEMBL536764)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C19H18N2O4S/c1-19(2,3)10-6-4-9(5-7-10)14(22)15-13(20)11-8-12(18(24)25)16(23)21-17(11)26-15/h4-8H,20H2,1-3H3,(H,21,23)(H,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411581
PNG
(CHEMBL537224)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H12N2O4S/c20-14-12-8-13(19(24)25)17(23)21-18(12)26-16(14)15(22)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,20H2,(H,21,23)(H,24,25)
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1.50E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444694
PNG
(CHEMBL3098854)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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1.50E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444692
PNG
(CHEMBL3098853)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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1.50E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal pl...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113755
PNG
(N-Benzyl-N-[4-(2-hydrazinylethyl)phenyl]-4-phenylb...)
Show SMILES NNCCc1ccc(cc1)N(Cc1ccccc1)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C25H29N3O/c26-27-19-18-22-14-16-24(17-15-22)28(20-23-10-5-2-6-11-23)25(29)13-7-12-21-8-3-1-4-9-21/h1-6,8-11,14-17,27H,7,12-13,18-20,26H2
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1.60E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113754
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-N-methyl-4-phenylb...)
Show SMILES CN(C(=O)CCCc1ccccc1)c1ccc(CCNN)cc1
Show InChI InChI=1S/C19H25N3O/c1-22(18-12-10-17(11-13-18)14-15-21-20)19(23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,21H,5,8-9,14-15,20H2,1H3
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2.00E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411570
PNG
(CHEMBL537225)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C15H16N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h6-7H,1-5,16H2,(H,17,19)(H,20,21)
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2.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444696
PNG
(CHEMBL3098942)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)32-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-
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2.30E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50065386
PNG
(CHEMBL3401327)
Show SMILES Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H58N6S2.ClH/c50-42(48-34-26-40(36-18-6-1-7-19-36)37-20-8-2-9-21-37)46-32-16-30-44-28-14-5-15-29-45-31-17-33-47-43(51)49-35-27-41(38-22-10-3-11-23-38)39-24-12-4-13-25-39;/h1-4,6-13,18-25,40-41,44-45H,5,14-17,26-35H2,(H2,46,48,50)(H2,47,49,51);1H
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2.40E+3n/an/an/an/an/an/an/an/a



John Hopkins University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LSD1 by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 1601-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.049
BindingDB Entry DOI: 10.7270/Q25Q4XSD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM113742
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)
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2.60E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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2.80E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411572
PNG
(CHEMBL539345)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H9F3N2O4S/c17-16(18,19)7-3-1-6(2-4-7)11(22)12-10(20)8-5-9(15(24)25)13(23)21-14(8)26-12/h1-5H,20H2,(H,21,23)(H,24,25)
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3.60E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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3.90E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113730
PNG
((3-Phenylpropyl)hydrazine dihydrochloride salt (9c...)
Show SMILES NNCCCc1ccccc1
Show InChI InChI=1S/C9H14N2/c10-11-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8,10H2
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5.00E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411573
PNG
(CHEMBL557989)
Show SMILES COc1ccccc1C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C16H12N2O5S/c1-23-10-5-3-2-4-7(10)12(19)13-11(17)8-6-9(16(21)22)14(20)18-15(8)24-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)
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5.30E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
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5.60E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM113742
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)
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6.50E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL MAO-A/B (final concentrations were 100-200 nM and 0.837 µM for MAO-A and MAO...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113732
PNG
([3-(4-Methoxyphenyl)propyl]hydrazine dihydrochlori...)
Show SMILES COc1ccc(CCCNN)cc1
Show InChI InChI=1S/C10H16N2O/c1-13-10-6-4-9(5-7-10)3-2-8-12-11/h4-7,12H,2-3,8,11H2,1H3
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8.00E+3n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411575
PNG
(CHEMBL536763)
Show SMILES Cc1ccccc1C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C16H12N2O4S/c1-7-4-2-3-5-8(7)12(19)13-11(17)9-6-10(16(21)22)14(20)18-15(9)23-13/h2-6H,17H2,1H3,(H,18,20)(H,21,22)
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1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411579
PNG
(CHEMBL539346)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H9ClN2O4S/c16-9-4-2-1-3-6(9)11(19)12-10(17)7-5-8(15(21)22)13(20)18-14(7)23-12/h1-5H,17H2,(H,18,20)(H,21,22)
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1.10E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113737
PNG
((3-Phenoxypropyl)hydrazine dihydrochloride salt (1...)
Show SMILES NNCCCOc1ccccc1
Show InChI InChI=1S/C9H14N2O/c10-11-7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8,10H2
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1.20E+4n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50318565
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNCC#C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1/C97H174N36O28/c1-11-39-110-40-19-15-27-60(127-92(158)75(56(10)137)132-85(151)63(120-76(142)50(4)101)30-22-43-113-97(108)109)80(146)125-65(33-35-70(103)139)86(152)131-74(55(9)136)91(157)116-51(5)77(143)121-61(28-20-41-111-95(104)105)81(147)123-59(26-14-18-38-100)83(149)129-67(48-134)88(154)130-73(54(8)135)90(156)115-46-71(140)114-47-72(141)119-57(24-12-16-36-98)78(144)117-52(6)93(159)133-44-23-31-68(133)89(155)126-62(29-21-42-112-96(106)107)82(148)122-58(25-13-17-37-99)79(145)124-64(32-34-69(102)138)84(150)128-66(45-49(2)3)87(153)118-53(7)94(160)161/h1,49-68,73-75,110,134-137H,12-48,98-101H2,2-10H3,(H2,102,138)(H2,103,139)(H,114,140)(H,115,156)(H,116,157)(H,117,144)(H,118,153)(H,119,141)(H,120,142)(H,121,143)(H,122,148)(H,123,147)(H,124,145)(H,125,146)(H,126,155)(H,127,158)(H,128,150)(H,129,149)(H,130,154)(H,131,152)(H,132,151)(H,160,161)(H4,104,105,111)(H4,106,107,112)(H4,108,109,113)/t50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/s2
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1.66E+4n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 53: 5197-212 (2010)


Article DOI: 10.1021/jm100217a
BindingDB Entry DOI: 10.7270/Q2QR4Z35
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411566
PNG
(CHEMBL536995)
Show SMILES CC(C)(C)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Show InChI InChI=1S/C13H14N2O4S/c1-13(2,3)9(16)8-7(14)5-4-6(12(18)19)10(17)15-11(5)20-8/h4H,14H2,1-3H3,(H,15,17)(H,18,19)
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2.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50411567
PNG
(CHEMBL537227)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1cccs1
Show InChI InChI=1S/C13H8N2O4S2/c14-8-5-4-6(13(18)19)11(17)15-12(5)21-10(8)9(16)7-2-1-3-20-7/h1-4H,14H2,(H,15,17)(H,18,19)
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2.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of UCHL1


Bioorg Med Chem Lett 17: 3729-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.027
BindingDB Entry DOI: 10.7270/Q2HT2QJ5
More data for this
Ligand-Target Pair
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