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28 similar compounds to monomer 50089951

Compile data set for download or QSAR
Wt: 399.9
BDBM50015214
Purchase
Wt: 477.4
BDBM50207181
Wt: 489.5
BDBM50059452
Wt: 470.7
BDBM50089937
Wt: 428.7
BDBM50089939
Wt: 498.8
BDBM50089949
Wt: 484.8
BDBM50089954
Wt: 402.3
BDBM50089920
Wt: 363.8
BDBM50089922
Wt: 448.3
BDBM50149883
Wt: 461.2
BDBM50118956
Wt: 308.3
BDBM50160765
Wt: 326.3
BDBM50198662
Wt: 484.5
BDBM50204637
Wt: 400.8
BDBM50191678
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50015214,50207181,50059452,50089937,50089939,50089949,50089954,50089920,50089922,50149883,50118956,50160765,50198662,50204637,50191678   
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
Riboflavin-binding protein


(Gallus gallus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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6.70E+3n/an/an/an/an/an/an/an/a



Calvin College

Curated by ChEMBL


Assay Description
Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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1.90E+4n/an/an/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
The competitive inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots


J Med Chem 42: 5448-54 (2000)


Article DOI: 10.1021/jm990386s
BindingDB Entry DOI: 10.7270/Q2FJ2G0Q
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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1.90E+4n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-Bologna University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase


Bioorg Med Chem Lett 19: 3031-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.060
BindingDB Entry DOI: 10.7270/Q29G5MVS
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.33E+5n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypanothione reductase was determined


Bioorg Med Chem Lett 11: 2655-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00528-5
BindingDB Entry DOI: 10.7270/Q2154G90
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human Glutathione reductase was determined


Bioorg Med Chem Lett 11: 2655-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00528-5
BindingDB Entry DOI: 10.7270/Q2154G90
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50059452
PNG
(CHEMBL3393483)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H23N5O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8,26H2,1H3,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059452
PNG
(CHEMBL3393483)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H23N5O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8,26H2,1H3,(H,29,30)
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n/an/a 60n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50059452
PNG
(CHEMBL3393483)
Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12
Show InChI InChI=1S/C25H23N5O4S/c1-2-33-24(32)23-21-12(11-27-23)19(20-14(28-21)6-4-8-16(20)31)17-9-10-18(34-17)35-25-29-15-7-3-5-13(26)22(15)30-25/h3,5,7,9-11,19,27-28H,2,4,6,8,26H2,1H3,(H,29,30)
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n/an/a 80n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate


J Med Chem 58: 362-75 (2015)


Article DOI: 10.1021/jm501326k
BindingDB Entry DOI: 10.7270/Q2T1559D
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089937
PNG
(CHEMBL3581191)
Show SMILES CNC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H18Cl3NO3S/c1-25-19(28)8-11-5-6-13(22)18(7-11)29-21-16(26)9-12(10-17(21)27)20-14(23)3-2-4-15(20)24/h2-7,12,26H,8-10H2,1H3,(H,25,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089939
PNG
(CHEMBL3581189)
Show SMILES CNc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C19H16Cl3NO2S/c1-23-11-5-6-12(20)17(9-11)26-19-15(24)7-10(8-16(19)25)18-13(21)3-2-4-14(18)22/h2-6,9-10,23-24H,7-8H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089949
PNG
(CHEMBL3581179)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(NC2CCOCC2)c1Cl
Show InChI InChI=1S/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2
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n/an/a 60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50089954
PNG
(CHEMBL3581174)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cc(cc1Cl)N1CCOCC1
Show InChI InChI=1S/C22H20Cl3NO3S/c23-15-3-1-2-4-20(15)30-22-18(27)9-13(10-19(22)28)21-16(24)11-14(12-17(21)25)26-5-7-29-8-6-26/h1-4,11-13,27H,5-10H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50089920
PNG
(CHEMBL3581055)
Show SMILES OC[C@@H](O)c1cccc(n1)-c1ccc2Oc3ccc(cc3NCc2c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N2O3/c22-21(23,24)14-5-7-20-17(9-14)25-10-13-8-12(4-6-19(13)29-20)15-2-1-3-16(26-15)18(28)11-27/h1-9,18,25,27-28H,10-11H2/t18-/m1/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50089922
PNG
(CHEMBL3581051)
Show SMILES CN1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
Show InChI InChI=1S/C21H18ClN3O/c1-25-19-9-7-13(17-3-2-4-18(24-17)21(23)26)11-14(19)5-6-15-12-16(22)8-10-20(15)25/h2-4,7-12H,5-6H2,1H3,(H2,23,26)
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n/an/a 840n/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay


Bioorg Med Chem Lett 25: 43-7 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.025
BindingDB Entry DOI: 10.7270/Q2GH9KPJ
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)


Article DOI: 10.1002/jat.2784
BindingDB Entry DOI: 10.7270/Q2D79D5C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50118956
PNG
(CHEMBL3617377)
Show SMILES Ic1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H12IN3O2S/c19-12-5-7-13(8-6-12)20-17(23)22-18-21-14(10-25-18)16-9-11-3-1-2-4-15(11)24-16/h1-10H,(H2,20,21,22,23)
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n/an/a 2.14E+4n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition b...


Eur J Med Chem 102: 80-92 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.005
BindingDB Entry DOI: 10.7270/Q2JM2CFX
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50118956
PNG
(CHEMBL3617377)
Show SMILES Ic1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H12IN3O2S/c19-12-5-7-13(8-6-12)20-17(23)22-18-21-14(10-25-18)16-9-11-3-1-2-4-15(11)24-16/h1-10H,(H2,20,21,22,23)
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n/an/a 4.13E+4n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition ...


Eur J Med Chem 102: 80-92 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.005
BindingDB Entry DOI: 10.7270/Q2JM2CFX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50149883
PNG
(CHEMBL3770619)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)cc(NC3CCOCC3)c2C)c(=O)[nH]1
Show InChI InChI=1S/C21H26BrN3O3/c1-12-8-13(2)24-21(27)18(12)11-23-20(26)17-9-15(22)10-19(14(17)3)25-16-4-6-28-7-5-16/h8-10,16,25H,4-7,11H2,1-3H3,(H,23,26)(H,24,27)
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n/an/a 500n/an/an/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay


J Med Chem 59: 1556-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50160765
PNG
(CHEMBL3787517)
Show SMILES CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H16O4/c1-12-10-18(20)23-17-11-15(8-9-16(12)17)22-13(2)19(21)14-6-4-3-5-7-14/h3-11,13H,1-2H3
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n/an/a 5.09E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Antagonist activity against androgen receptor (unknown origin)


Bioorg Med Chem Lett 26: 2000-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.088
BindingDB Entry DOI: 10.7270/Q2MK6FS1
More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 2.16E+6n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of snake venom phospholipase A2 assessed as oxygen consumption for 3 mins


J Nat Prod 59: 977-9 (1997)


Article DOI: 10.1021/np9604339
BindingDB Entry DOI: 10.7270/Q2SX6D8W
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase


J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human aldehyde oxidase


J Med Chem 53: 8441-60 (2010)


Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Riboflavin-binding protein


(Gallus gallus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/an/a 264n/an/an/a7.4n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against Phospholipase A2 (PLA2)


Bioorg Med Chem Lett 3: 2087-2092 (1993)


Article DOI: 10.1016/S0960-894X(01)81022-2
BindingDB Entry DOI: 10.7270/Q2G73F6K
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against 5-lipoxygenase


Bioorg Med Chem Lett 3: 2087-2092 (1993)


Article DOI: 10.1016/S0960-894X(01)81022-2
BindingDB Entry DOI: 10.7270/Q2G73F6K
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat basophilic leukemia cell 5-lipoxygenase


Bioorg Med Chem Lett 3: 711-716 (1993)


Article DOI: 10.1016/S0960-894X(01)81260-9
BindingDB Entry DOI: 10.7270/Q2SJ1M3F
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Rattus norvegicus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat


Bioorg Med Chem Lett 3: 711-716 (1993)


Article DOI: 10.1016/S0960-894X(01)81260-9
BindingDB Entry DOI: 10.7270/Q2SJ1M3F
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 3.20E+8n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


J Med Chem 39: 5183-91 (1997)


Article DOI: 10.1021/jm960437a
BindingDB Entry DOI: 10.7270/Q2K64JQH
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 7.60E+7n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant secretory Phospholipase A2 (group II).


J Med Chem 39: 5183-91 (1997)


Article DOI: 10.1021/jm960437a
BindingDB Entry DOI: 10.7270/Q2K64JQH
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/an/an/a 300n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 3.26E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against PGS (prostaglandin synthetase).


Bioorg Med Chem Lett 3: 2087-2092 (1993)


Article DOI: 10.1016/S0960-894X(01)81022-2
BindingDB Entry DOI: 10.7270/Q2G73F6K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191678
PNG
(CHEMBL3909782)
Show SMILES Clc1cc2ncc3ncn(-c4ccc(CC#N)cc4)c3c2cc1-c1ccsc1
Show InChI InChI=1S/C22H13ClN4S/c23-19-10-20-18(9-17(19)15-6-8-28-12-15)22-21(11-25-20)26-13-27(22)16-3-1-14(2-4-16)5-7-24/h1-4,6,8-13H,5H2
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n/an/a 800n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00598
BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50207181
PNG
(CHEMBL3950927)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C23H19N5O5S/c1-24-34(31,32)19-12-8-17(9-13-19)26-23-25-15-14-20(27-23)16-6-10-18(11-7-16)33-22-5-3-2-4-21(22)28(29)30/h2-15,24H,1H3,(H,25,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin)


Eur J Med Chem 123: 544-556 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.075
BindingDB Entry DOI: 10.7270/Q2BR8V5X
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50204637
PNG
(CHEMBL319925)
Show SMILES NCc1cccc(CNC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
Show InChI InChI=1S/C29H32N4O3/c30-18-21-7-6-8-22(17-21)19-31-27(34)20-33-16-5-4-11-26(29(33)36)32-28(35)25-14-12-24(13-15-25)23-9-2-1-3-10-23/h1-3,6-10,12-15,17,26H,4-5,11,16,18-20,30H2,(H,31,34)(H,32,35)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human tryptase.


Bioorg Med Chem Lett 14: 309-12 (2003)


Article DOI: 10.1016/j.bmcl.2003.11.016
BindingDB Entry DOI: 10.7270/Q22F7MWG
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...


J Med Chem 28: 381-8 (1985)


Article DOI: 10.1021/jm00381a019
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/an/an/a 1.44E+4n/an/an/an/a



Strasbourg 1 University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-CEM cells


Anticancer Drugs 7: 568-78 (1997)


BindingDB Entry DOI: 10.7270/Q23F4QXB
More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 2.15E+6n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of Naja Naja PLA2


J Nat Prod 60: 1158-60 (1998)


Article DOI: 10.1021/np970221r
BindingDB Entry DOI: 10.7270/Q2QV3ND4
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 2.92E+5n/an/an/an/an/an/a



Kyoto Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay


Antimicrob Agents Chemother 51: 350-3 (2006)


Article DOI: 10.1128/AAC.00985-06
BindingDB Entry DOI: 10.7270/Q2C82BJV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ovine seminal vesicle prostaglandin synthetase


Bioorg Med Chem Lett 3: 711-716 (1993)


Article DOI: 10.1016/S0960-894X(01)81260-9
BindingDB Entry DOI: 10.7270/Q2SJ1M3F
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198662
PNG
(CHEMBL3966957)
Show SMILES O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccccc1
Show InChI InChI=1S/C21H14N2O2/c22-13-18-8-9-19(23(18)14-15-4-2-1-3-5-15)16-6-10-20-17(12-16)7-11-21(24)25-20/h1-12H,14H2
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n/an/a 56n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198662
PNG
(CHEMBL3966957)
Show SMILES O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccccc1
Show InChI InChI=1S/C21H14N2O2/c22-13-18-8-9-19(23(18)14-15-4-2-1-3-5-15)16-6-10-20-17(12-16)7-11-21(24)25-20/h1-12H,14H2
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n/an/a 790n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from recombinant human GST-tagged PR-LBD (675 to 933 residues) expressed in baculovirus-infected insect cell...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta'


(Escherichia coli K-12)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA-primed RNA polymerase activity using [8-14C]ATP by scintillation counting


J Med Chem 19: 994-8 (1976)


Article DOI: 10.1021/jm00230a002
BindingDB Entry DOI: 10.7270/Q2668FQC
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.01E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


Drug Metab Dispos 40: 2332-41 (2012)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.99E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair