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4 similar compounds to monomer 50135219

Compile data set for download or QSAR
Wt: 415.4
BDBM50135209
Wt: 416.4
BDBM50135210
Wt: 504.5
BDBM50135226
Wt: 401.4
BDBM50135207

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50135209,50135210,50135226,50135207   
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50135226
PNG
(CHEMBL3747473)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...


Bioorg Med Chem Lett 26: 94-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.024
BindingDB Entry DOI: 10.7270/Q2PR7XT0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135207
PNG
(CHEMBL3747287)
Show SMILES OC1(CNC(=O)c2cn(Cc3ccc(cc3)-n3cccn3)c3cccnc23)CCC1
Show InChI InChI=1S/C23H23N5O2/c29-22(25-16-23(30)9-2-10-23)19-15-27(20-4-1-11-24-21(19)20)14-17-5-7-18(8-6-17)28-13-3-12-26-28/h1,3-8,11-13,15,30H,2,9-10,14,16H2,(H,25,29)
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n/an/an/an/a 500n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135209
PNG
(CHEMBL3746322)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1nn(Cc2ccc(cc2)-n2cccn2)c2ccccc12
Show InChI InChI=1/C24H25N5O2/c30-22-9-4-2-7-20(22)26-24(31)23-19-6-1-3-8-21(19)29(27-23)16-17-10-12-18(13-11-17)28-15-5-14-25-28/h1,3,5-6,8,10-15,20,22,30H,2,4,7,9,16H2,(H,26,31)/t20-,22-/s2
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n/an/an/an/a 4.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50135226
PNG
(CHEMBL3747473)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 by enzyme immunoassay


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50135226
PNG
(CHEMBL3747473)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Mus musculus)
BDBM50135226
PNG
(CHEMBL3747473)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs


Bioorg Med Chem Lett 26: 5193-5197 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.070
BindingDB Entry DOI: 10.7270/Q2W097WN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50135210
PNG
(CHEMBL3746104)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1nn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1/C23H24N6O2/c30-20-7-2-1-5-18(20)26-23(31)22-21-19(6-3-12-24-21)29(27-22)15-16-8-10-17(11-9-16)28-14-4-13-25-28/h3-4,6,8-14,18,20,30H,1-2,5,7,15H2,(H,26,31)/t18-,20-/s2
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n/an/an/an/a 215n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 650-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.053
BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair