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23 similar compounds to monomer 50130697

Wt: 235.2
BDBM50004352
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Wt: 251.2
BDBM50025883
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Wt: 251.2
BDBM50031231
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Wt: 235.2
BDBM50140057
Wt: 269.2
BDBM50144932
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Wt: 269.2
BDBM50144933
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Wt: 251.2
BDBM50144950
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Wt: 336.4
BDBM50011354
Wt: 380.3
BDBM50011165
Wt: 293.3
BDBM50060625
Wt: 440.3
BDBM50046100
Wt: 447.6
BDBM50050569
Wt: 433.6
BDBM50050570
Wt: 394.4
BDBM50076444
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Wt: 242.0
BDBM50076448
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Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50004352,50025883,50031231,50140057,50144932,50144933,50144950,50011354,50011165,50060625,50046100,50050569,50050570,50076444,50076448   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50011354
PNG
(CHEMBL3260985)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12
Show InChI InChI=1S/C21H24N2O2/c1-16(24)22-12-11-18-15-23-21-10-9-19(14-20(18)21)25-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14-15,23H,5,8,11-13H2,1H3,(H,22,24)
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3.90n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [125I]2-iodomelatonin from human MT1 receptor expressed in CHO cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50031231
PNG
(2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)CC1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
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5.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50031231
PNG
(2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)CC1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
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26.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM50025883
PNG
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymet...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
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28.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025883
PNG
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymet...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
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30.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM50031231
PNG
(2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)CC1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
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32.7n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50025883
PNG
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymet...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
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38.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50011354
PNG
(CHEMBL3260985)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12
Show InChI InChI=1S/C21H24N2O2/c1-16(24)22-12-11-18-15-23-21-10-9-19(14-20(18)21)25-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14-15,23H,5,8,11-13H2,1H3,(H,22,24)
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49n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [125I]2-iodomelatonin from human MT2 receptor expressed in CHO cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50046100
PNG
(CHEMBL3310291)
Show SMILES OC(Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H14F6N4O/c21-19(22,23)14(31)7-10-5-11(8-12(6-10)18(9-27)2-3-18)13-1-4-28-17-15(13)16(29-30-17)20(24,25)26/h1,4-6,8,14,31H,2-3,7H2,(H,28,29,30)
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267n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKCepsilon (unknown origin) using ERMRPRKRQGSVRRRV peptide substrate by coupled-enzyme assay


Bioorg Med Chem Lett 24: 3398-402 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.082
BindingDB Entry DOI: 10.7270/Q27H1M7X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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7.12E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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7.12E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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7.12E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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1.52E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50004352
PNG
(CHEMBL14925 | [(2R,5S)-5-(6-Amino-purin-9-yl)-tetr...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](CO)O1
Show InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Universit£ Montpellier-2 des Sciences et Techniques du Languedoc

Curated by ChEMBL


Assay Description
inhibitory activity against Adenosine deaminase


J Med Chem 40: 3969-73 (1998)


Article DOI: 10.1021/jm9701482
BindingDB Entry DOI: 10.7270/Q20002R9
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144933
PNG
((2R,3S,4S,5R)-4-Fluoro-5-hydroxymethyl-2-(6-methyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
Show InChI InChI=1S/C10H12FN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50025883
PNG
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymet...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
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n/an/a 1.50E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)


Article DOI: 10.1021/jm0303599
BindingDB Entry DOI: 10.7270/Q2Q52QC7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144950
PNG
(3'-deoxyadenosine | 9-(beta-D-3'-Deoxyribofuranosy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144932
PNG
((2R,3R,4R,5R)-4-Fluoro-2-hydroxymethyl-5-(6-methyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
Show InChI InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV NS5B-mediated RNA synthesis


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144933
PNG
((2R,3S,4S,5R)-4-Fluoro-5-hydroxymethyl-2-(6-methyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
Show InChI InChI=1S/C10H12FN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50144932
PNG
((2R,3R,4R,5R)-4-Fluoro-2-hydroxymethyl-5-(6-methyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
Show InChI InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Isis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HCV RNA replication


J Med Chem 47: 2283-95 (2004)


Article DOI: 10.1021/jm030424e
BindingDB Entry DOI: 10.7270/Q2QZ2BQ3
More data for this
Ligand-Target Pair
Histone acetyltransferase GCN5


(Saccharomyces cerevisiae S288c)
BDBM50076448
PNG
(CHEMBL3416535)
Show SMILES Clc1cc(Cl)cc(c1)N1C(=O)C=CC1=O
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h1-5H
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n/an/a 1.20E+4n/an/an/an/an/an/a



Mayo Clinic College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...


J Med Chem 58: 2091-113 (2015)


Article DOI: 10.1021/jm5019093
BindingDB Entry DOI: 10.7270/Q26M38J9
More data for this
Ligand-Target Pair
Histone acetyltransferase GCN5


(Saccharomyces cerevisiae S288c)
BDBM50076444
PNG
(CHEMBL1609841)
Show SMILES COc1ccc(cc1)N1C(=O)CC(Sc2n[nH]c(n2)-c2ccc(C)cc2)C1=O
Show InChI InChI=1S/C20H18N4O3S/c1-12-3-5-13(6-4-12)18-21-20(23-22-18)28-16-11-17(25)24(19(16)26)14-7-9-15(27-2)10-8-14/h3-10,16H,11H2,1-2H3,(H,21,22,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Mayo Clinic College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...


J Med Chem 58: 2091-113 (2015)


Article DOI: 10.1021/jm5019093
BindingDB Entry DOI: 10.7270/Q26M38J9
More data for this
Ligand-Target Pair
Histone acetyltransferase GCN5


(Saccharomyces cerevisiae S288c)
BDBM50076448
PNG
(CHEMBL3416535)
Show SMILES Clc1cc(Cl)cc(c1)N1C(=O)C=CC1=O
Show InChI InChI=1S/C10H5Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h1-5H
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n/an/a 3.10E+3n/an/an/an/an/an/a



Mayo Clinic College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...


J Med Chem 58: 2091-113 (2015)


Article DOI: 10.1021/jm5019093
BindingDB Entry DOI: 10.7270/Q26M38J9
More data for this
Ligand-Target Pair
Histone acetyltransferase GCN5


(Saccharomyces cerevisiae S288c)
BDBM50076444
PNG
(CHEMBL1609841)
Show SMILES COc1ccc(cc1)N1C(=O)CC(Sc2n[nH]c(n2)-c2ccc(C)cc2)C1=O
Show InChI InChI=1S/C20H18N4O3S/c1-12-3-5-13(6-4-12)18-21-20(23-22-18)28-16-11-17(25)24(19(16)26)14-7-9-15(27-2)10-8-14/h3-10,16H,11H2,1-2H3,(H,21,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Mayo Clinic College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...


J Med Chem 58: 2091-113 (2015)


Article DOI: 10.1021/jm5019093
BindingDB Entry DOI: 10.7270/Q26M38J9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50060625
PNG
(CHEMBL3394530)
Show SMILES Cc1c(C)c(=O)oc2cc(ccc12)\N=C\c1ccccc1O
Show InChI InChI=1S/C18H15NO3/c1-11-12(2)18(21)22-17-9-14(7-8-15(11)17)19-10-13-5-3-4-6-16(13)20/h3-10,20H,1-2H3/b19-10+
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n/an/a 118n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorescence assay


Bioorg Med Chem Lett 25: 508-13 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.034
BindingDB Entry DOI: 10.7270/Q2MC91PS
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50140057
PNG
(2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetra...)
Show SMILES CC1OC(CC1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)


Article DOI: 10.1021/jm0303599
BindingDB Entry DOI: 10.7270/Q2Q52QC7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050569
PNG
(CHEMBL3311548)
Show SMILES C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@]12C)CC(=O)OCCCN1CCCCC1
Show InChI InChI=1S/C28H49NO3/c1-22(20-26(31)32-19-9-18-29-16-6-5-7-17-29)10-12-24-23(21-30)11-13-25-27(2,3)14-8-15-28(24,25)4/h11,22,24-25,30H,5-10,12-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50050570
PNG
(CHEMBL3311547)
Show SMILES C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@]12C)CC(=O)OCCN1CCCCC1
Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-17-28-15-6-5-7-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-8-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50050569
PNG
(CHEMBL3311548)
Show SMILES C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@]12C)CC(=O)OCCCN1CCCCC1
Show InChI InChI=1S/C28H49NO3/c1-22(20-26(31)32-19-9-18-29-16-6-5-7-17-29)10-12-24-23(21-30)11-13-25-27(2,3)14-8-15-28(24,25)4/h11,22,24-25,30H,5-10,12-21H2,1-4H3/t22-,24-,25-,28+/m0/s1
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n/an/a 3.47E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50011165
PNG
(CHEMBL3259922)
Show SMILES CN1CCCC(C1)(NC(=O)c1ccc(cc1F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H20F4N2O/c1-26-11-5-10-19(13-26,14-6-3-2-4-7-14)25-18(27)16-9-8-15(12-17(16)21)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,25,27)
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n/an/an/an/a 9.90E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake


Citation and Details

Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50050570
PNG
(CHEMBL3311547)
Show SMILES C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@]12C)CC(=O)OCCN1CCCCC1
Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-17-28-15-6-5-7-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-8-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1
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Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair