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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'rao' and Initial = 'vj'   
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM203459
PNG
(US9242982, 1k)
Show SMILES Cn1c2[nH]c(=O)c(Cc3ccc(Br)cc3)cc2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H14BrN3O3/c1-19-13-12(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-3-5-11(17)6-4-9/h3-6,8H,7H2,1-2H3,(H,18,21)
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US Patent
n/an/a 4.80n/an/an/an/an/a22



COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9242982 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FF6
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM203457
PNG
(US9242982, 1i)
Show SMILES Cn1c2[nH]c(=O)c(Cc3ccccc3Br)cc2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H14BrN3O3/c1-19-13-11(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-5-3-4-6-12(9)17/h3-6,8H,7H2,1-2H3,(H,18,21)
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n/an/a 6.60n/an/an/an/an/a22



COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9242982 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FF6
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205353
PNG
(US9249139, 1j)
Show SMILES CCOC(=O)c1cc(Cc2cccc(Br)c2)c(=O)n2CCCc12
Show InChI InChI=1S/C18H18BrNO3/c1-2-23-18(22)15-11-13(9-12-5-3-6-14(19)10-12)17(21)20-8-4-7-16(15)20/h3,5-6,10-11H,2,4,7-9H2,1H3
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US Patent
n/an/a 11.3n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM203455
PNG
(US9242982, 1g)
Show SMILES Cn1c2[nH]c(=O)c(Cc3ccc(Cl)cc3)cc2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H14ClN3O3/c1-19-13-12(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-3-5-11(17)6-4-9/h3-6,8H,7H2,1-2H3,(H,18,21)
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n/an/a 12.5n/an/an/an/an/a22



COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9242982 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FF6
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205346
PNG
(US9249139, 1c)
Show SMILES CCOC(=O)c1cc(Cc2cccc(F)c2)c(=O)n2CCCc12
Show InChI InChI=1S/C18H18FNO3/c1-2-23-18(22)15-11-13(9-12-5-3-6-14(19)10-12)17(21)20-8-4-7-16(15)20/h3,5-6,10-11H,2,4,7-9H2,1H3
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n/an/a 13.5n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM203451
PNG
(US9242982, 1c)
Show SMILES Cn1c2[nH]c(=O)c(Cc3cccc(F)c3)cc2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H14FN3O3/c1-19-13-12(15(22)20(2)16(19)23)8-10(14(21)18-13)6-9-4-3-5-11(17)7-9/h3-5,7-8H,6H2,1-2H3,(H,18,21)
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n/an/a 32.3n/an/an/an/an/a22



COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9242982 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FF6
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM203450
PNG
(US9242982, 1b)
Show SMILES Cn1c2[nH]c(=O)c(Cc3ccccc3F)cc2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H14FN3O3/c1-19-13-11(15(22)20(2)16(19)23)8-10(14(21)18-13)7-9-5-3-4-6-12(9)17/h3-6,8H,7H2,1-2H3,(H,18,21)
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n/an/a 48.8n/an/an/an/an/a22



COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9242982 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FF6
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205354
PNG
(US9249139, 1k)
Show SMILES CCOC(=O)c1cc(Cc2ccc(Br)cc2)c(=O)n2CCCc12
Show InChI InChI=1S/C18H18BrNO3/c1-2-23-18(22)15-11-13(10-12-5-7-14(19)8-6-12)17(21)20-9-3-4-16(15)20/h5-8,11H,2-4,9-10H2,1H3
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n/an/a 67.3n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 100n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205350
PNG
(US9249139, 1g)
Show SMILES CCOC(=O)c1cc(Cc2ccc(Cl)cc2)c(=O)n2CCCc12
Show InChI InChI=1S/C18H18ClNO3/c1-2-23-18(22)15-11-13(10-12-5-7-14(19)8-6-12)17(21)20-9-3-4-16(15)20/h5-8,11H,2-4,9-10H2,1H3
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n/an/a 108n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205348
PNG
(US9249139, 1e)
Show SMILES CCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)n2CCCc12
Show InChI InChI=1S/C18H18ClNO3/c1-2-23-18(22)14-11-13(10-12-6-3-4-7-15(12)19)17(21)20-9-5-8-16(14)20/h3-4,6-7,11H,2,5,8-10H2,1H3
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n/an/a 129n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50444638
PNG
(CHEMBL3098361)
Show SMILES OC(=O)c1ccc(cc1)N1C(=S)S\C(=C/C(=C/c2ccccc2)/C#N)C1=O
Show InChI InChI=1S/C20H12N2O3S2/c21-12-14(10-13-4-2-1-3-5-13)11-17-18(23)22(20(26)27-17)16-8-6-15(7-9-16)19(24)25/h1-11H,(H,24,25)/b14-10-,17-11-
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n/an/a 220n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205344
PNG
(US9249139, 1a)
Show SMILES CCOC(=O)c1cc(Cc2ccccc2)c(=O)n2CCCc12
Show InChI InChI=1S/C18H19NO3/c1-2-22-18(21)15-12-14(11-13-7-4-3-5-8-13)17(20)19-10-6-9-16(15)19/h3-5,7-8,12H,2,6,9-11H2,1H3
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n/an/a 435n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205351
PNG
(US9249139, 1h)
Show SMILES CCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)c(=O)n2CCCc12
Show InChI InChI=1S/C18H17Cl2NO3/c1-2-24-18(23)14-9-12(17(22)21-7-3-4-16(14)21)8-11-5-6-13(19)10-15(11)20/h5-6,9-10H,2-4,7-8H2,1H3
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n/an/a 577n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50444641
PNG
(CHEMBL3098447)
Show SMILES OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccco2)/C#N)C1=O
Show InChI InChI=1S/C13H8N2O4S2/c14-6-8(4-9-2-1-3-19-9)5-10-12(18)15(7-11(16)17)13(20)21-10/h1-5H,7H2,(H,16,17)/b8-4-,10-5-
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n/an/a 670n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50444640
PNG
(CHEMBL3098450)
Show SMILES Cc1ccc(C=C(C=C2SC(S)=NC2=O)C#N)cc1 |w:5.4,7.6,c:11|
Show InChI InChI=1S/C14H10N2OS2/c1-9-2-4-10(5-3-9)6-11(8-15)7-12-13(17)16-14(18)19-12/h2-7H,1H3,(H,16,17,18)
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n/an/a 690n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50444642
PNG
(CHEMBL3098459)
Show SMILES OC(=O)CN1C(=S)S\C(=C/C(=C/c2ccccc2)/C#N)C1=O
Show InChI InChI=1S/C15H10N2O3S2/c16-8-11(6-10-4-2-1-3-5-10)7-12-14(20)17(9-13(18)19)15(21)22-12/h1-7H,9H2,(H,18,19)/b11-6-,12-7-
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n/an/a 750n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50444639
PNG
(CHEMBL3098360)
Show SMILES SC1=NC(=O)C(S1)=CC(=Cc1cccs1)C#N |w:9.10,7.8,t:1|
Show InChI InChI=1S/C11H6N2OS3/c12-6-7(4-8-2-1-3-16-8)5-9-10(14)13-11(15)17-9/h1-5H,(H,13,14,15)
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n/an/a 860n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by N...


Eur J Med Chem 71: 53-66 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.043
BindingDB Entry DOI: 10.7270/Q2H996P7
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM205347
PNG
(US9249139, 1d)
Show SMILES CCOC(=O)c1cc(Cc2ccc(F)cc2)c(=O)n2CCCc12
Show InChI InChI=1S/C18H18FNO3/c1-2-23-18(22)15-11-13(10-12-5-7-14(19)8-6-12)17(21)20-9-3-4-16(15)20/h5-8,11H,2-4,9-10H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50485540
PNG
(CHEMBL2069990)
Show SMILES Cc1ccc(Cc2cc(C#N)c(C)[nH]c2=O)cc1
Show InChI InChI=1S/C15H14N2O/c1-10-3-5-12(6-4-10)7-13-8-14(9-16)11(2)17-15(13)18/h3-6,8H,7H2,1-2H3,(H,17,18)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of PDE3 by Biomol Green quantizyme assay system


Bioorg Med Chem Lett 22: 6010-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.019
BindingDB Entry DOI: 10.7270/Q2P84FRB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50485536
PNG
(CHEMBL2069919)
Show SMILES COC(=O)c1cc(Cc2ccccc2Cl)c(=O)[nH]c1C
Show InChI InChI=1S/C15H14ClNO3/c1-9-12(15(19)20-2)8-11(14(18)17-9)7-10-5-3-4-6-13(10)16/h3-6,8H,7H2,1-2H3,(H,17,18)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of PDE3 by Biomol Green quantizyme assay system


Bioorg Med Chem Lett 22: 6010-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.019
BindingDB Entry DOI: 10.7270/Q2P84FRB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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US Patent
n/an/a 3.30E+3n/an/an/an/an/a22



COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9242982 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FF6
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of PDE3 by Biomol Green quantizyme assay system


Bioorg Med Chem Lett 22: 6010-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.019
BindingDB Entry DOI: 10.7270/Q2P84FRB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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US Patent
n/an/a 3.30E+3n/an/an/an/an/a22



Council of Scientific & Industrial Research

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9249139 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B1M
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50485544
PNG
(CHEMBL2069920)
Show SMILES CCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1-c1ccccc1
Show InChI InChI=1S/C21H19NO3/c1-2-25-21(24)18-14-17(13-15-9-5-3-6-10-15)20(23)22-19(18)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,22,23)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of PDE3 by Biomol Green quantizyme assay system


Bioorg Med Chem Lett 22: 6010-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.019
BindingDB Entry DOI: 10.7270/Q2P84FRB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50485546
PNG
(CHEMBL2069912)
Show SMILES CCOC(=O)c1cc(Cc2cccc(Cl)c2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H16ClNO3/c1-3-21-16(20)14-9-12(15(19)18-10(14)2)7-11-5-4-6-13(17)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,18,19)
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n/an/a 7.49E+3n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of PDE3 by Biomol Green quantizyme assay system


Bioorg Med Chem Lett 22: 6010-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.019
BindingDB Entry DOI: 10.7270/Q2P84FRB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50485538
PNG
(CHEMBL2069983)
Show SMILES CCOC(=O)c1cc(Cc2ccc(Br)cc2)c(=O)[nH]c1-c1ccccc1
Show InChI InChI=1S/C21H18BrNO3/c1-2-26-21(25)18-13-16(12-14-8-10-17(22)11-9-14)20(24)23-19(18)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,23,24)
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n/an/a 8.47E+3n/an/an/an/an/an/a



Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of PDE3 by Biomol Green quantizyme assay system


Bioorg Med Chem Lett 22: 6010-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.019
BindingDB Entry DOI: 10.7270/Q2P84FRB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM203449
PNG
(US9242982, 1a)
Show SMILES Cn1c2[nH]c(=O)c(Cc3ccccc3)cc2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H15N3O3/c1-18-13-12(15(21)19(2)16(18)22)9-11(14(20)17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,20)
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n/an/a 1.18E+4n/an/an/an/an/a22



COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH

US Patent


Assay Description
PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood ...


US Patent US9242982 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FF6
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401967
PNG
(CHEMBL2207959)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Br)cc1 |c:12,14|
Show InChI InChI=1S/C19H12BrN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.41E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401976
PNG
(CHEMBL2203334)
Show SMILES Brc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10BrN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 1.53E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425183
PNG
(CHEMBL2313583)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(Br)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17BrN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401973
PNG
(CHEMBL2207953)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1 |c:12,14|
Show InChI InChI=1S/C23H15N3OS/c1-27-19-8-9-21-22(14-19)28-23-25-20(13-18(10-11-24)26(21)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12-14H,1H3/b18-10+
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n/an/a 1.59E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425181
PNG
(CHEMBL2313585)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccccc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H18N2O2S2/c1-3-23-14-9-10-15-17(11-14)25-19(20-15)21-18(24-2)12-16(22)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425180
PNG
(CHEMBL2313586)
Show SMILES CSC(CC(=O)c1ccc(Br)cc1)=Nc1nc2cc(C)c(C)cc2s1 |w:13.14|
Show InChI InChI=1S/C19H17BrN2OS2/c1-11-8-15-17(9-12(11)2)25-19(21-15)22-18(24-3)10-16(23)13-4-6-14(20)7-5-13/h4-9H,10H2,1-3H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401967
PNG
(CHEMBL2207959)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Br)cc1 |c:12,14|
Show InChI InChI=1S/C19H12BrN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.74E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425182
PNG
(CHEMBL2313584)
Show SMILES CSC(CC(=O)c1ccc(Br)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13BrN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 1.78E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425178
PNG
(CHEMBL2313588)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(Cl)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17ClN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401970
PNG
(CHEMBL2207956)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(C)cc1 |c:12,14|
Show InChI InChI=1S/C20H15N3OS/c1-13-3-5-14(6-4-13)17-11-15(9-10-21)23-18-8-7-16(24-2)12-19(18)25-20(23)22-17/h3-9,11-12H,1-2H3/b15-9+
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n/an/a 1.83E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425176
PNG
(CHEMBL2313590)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(F)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17FN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425175
PNG
(CHEMBL2313591)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(OC)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C20H20N2O3S2/c1-4-25-15-9-10-16-18(11-15)27-20(21-16)22-19(26-3)12-17(23)13-5-7-14(24-2)8-6-13/h5-11H,4,12H2,1-3H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401968
PNG
(CHEMBL2207958)
Show SMILES CCOc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:13,15|
Show InChI InChI=1S/C20H15N3OS/c1-2-24-16-8-9-18-19(13-16)25-20-22-17(14-6-4-3-5-7-14)12-15(10-11-21)23(18)20/h3-10,12-13H,2H2,1H3/b15-10+
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n/an/a 1.87E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401973
PNG
(CHEMBL2207953)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1 |c:12,14|
Show InChI InChI=1S/C23H15N3OS/c1-27-19-8-9-21-22(14-19)28-23-25-20(13-18(10-11-24)26(21)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12-14H,1H3/b18-10+
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n/an/a 1.87E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425184
PNG
(CHEMBL2313582)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(C)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C20H20N2O2S2/c1-4-24-15-9-10-16-18(11-15)26-20(21-16)22-19(25-3)12-17(23)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401970
PNG
(CHEMBL2207956)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(C)cc1 |c:12,14|
Show InChI InChI=1S/C20H15N3OS/c1-13-3-5-14(6-4-13)17-11-15(9-10-21)23-18-8-7-16(24-2)12-19(18)25-20(23)22-17/h3-9,11-12H,1-2H3/b15-9+
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n/an/a 1.95E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401972
PNG
(CHEMBL2207954)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Cl)cc1 |c:12,14|
Show InChI InChI=1S/C19H12ClN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.97E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425177
PNG
(CHEMBL2313589)
Show SMILES CSC(CC(=O)c1ccc(F)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13FN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 1.99E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401974
PNG
(CHEMBL2207952)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccc2ccccc2c1 |c:4,t:6|
Show InChI InChI=1S/C22H13N3S/c23-12-11-18-14-19(17-10-9-15-5-1-2-6-16(15)13-17)24-22-25(18)20-7-3-4-8-21(20)26-22/h1-11,13-14H/b18-11+
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n/an/a 1.99E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401972
PNG
(CHEMBL2207954)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Cl)cc1 |c:12,14|
Show InChI InChI=1S/C19H12ClN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 2.02E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401971
PNG
(CHEMBL2207955)
Show SMILES Cc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C19H13N3S/c1-13-6-8-14(9-7-13)16-12-15(10-11-20)22-17-4-2-3-5-18(17)23-19(22)21-16/h2-10,12H,1H3/b15-10+
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n/an/a 2.03E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425179
PNG
(CHEMBL2313587)
Show SMILES CSC(CC(=O)c1ccc(Cl)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13ClN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
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