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10 similar compounds to monomer 50094238

Compile data set for download or QSAR
Wt: 266.2
BDBM65746
Purchase
Wt: 254.2
BDBM50068770
Wt: 266.2
BDBM50068762
Wt: 222.2
BDBM50106305
Purchase
Wt: 513.5
BDBM50094231
Wt: 479.5
BDBM50094243
Wt: 530.6
BDBM50094227
Wt: 513.5
BDBM50094230
Wt: 539.5
BDBM50094250
Wt: 396.5
BDBM50099439

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 65746,50068770,50068762,50106305,50094231,50094243,50094227,50094230,50094250,50099439   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099439
PNG
(CHEMBL3342855)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
Show InChI InChI=1S/C18H12N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
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9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099439
PNG
(CHEMBL3342855)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
Show InChI InChI=1S/C18H12N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099439
PNG
(CHEMBL3342855)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
Show InChI InChI=1S/C18H12N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
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81n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50099439
PNG
(CHEMBL3342855)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
Show InChI InChI=1S/C18H12N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
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288n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50068762
PNG
(2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 12n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50106305
PNG
(2-Phenyl-3H-quinazolin-4-one | 2-phenyl-3,4-dihydr...)
Show SMILES O=c1[nH]c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
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n/an/a 1.77E+5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of beta-glucuronidase activity (unknown origin) assessed as p-nitrophenol formation after 30 mins using p-nitrophenyl-beta-D-glucuronide a...


Bioorg Med Chem 22: 3449-54 (2014)


Article DOI: 10.1016/j.bmc.2014.04.039
BindingDB Entry DOI: 10.7270/Q2057HHX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068762
PNG
(2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 190n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


J Med Chem 41: 5247-56 (1999)


Article DOI: 10.1021/jm980273t
BindingDB Entry DOI: 10.7270/Q2VX0FNK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068770
PNG
(8-Hydroxy-2-(4-hydroxy-phenyl)-3H-quinazolin-4-one...)
Show SMILES Oc1ccc(cc1)-c1nc2c(O)cccc2c(=O)[nH]1
Show InChI InChI=1S/C14H10N2O3/c17-9-6-4-8(5-7-9)13-15-12-10(14(19)16-13)2-1-3-11(12)18/h1-7,17-18H,(H,15,16,19)
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n/an/a 290n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


J Med Chem 41: 5247-56 (1999)


Article DOI: 10.1021/jm980273t
BindingDB Entry DOI: 10.7270/Q2VX0FNK
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106305
PNG
(2-Phenyl-3H-quinazolin-4-one | 2-phenyl-3,4-dihydr...)
Show SMILES O=c1[nH]c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094227
PNG
(CHEMBL3586029)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C16H14N2O3/c1-20-11-7-10(8-12(9-11)21-2)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 7.20n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094231
PNG
(CHEMBL3586025)
Show SMILES CCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C15H12N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 180n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50094243
PNG
(CHEMBL2430511)
Show SMILES [O-][N+](=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Srinakharinwirot University

Curated by ChEMBL


Assay Description
Inhibition of CYP19 (unknown origin) using O-benzyl fluorescein benzyl ester substrate preincubated for 10 mins by fluorimetric analysis relative to ...


Bioorg Med Chem 23: 3472-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.036
BindingDB Entry DOI: 10.7270/Q2CC12FV
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50094250
PNG
(CHEMBL2430501)
Show SMILES COc1ccc(CCNS(=O)(=O)c2ccc(cc2)-n2cc(COc3ccc(cc3)[N+]([O-])=O)nn2)cc1OC
Show InChI InChI=1S/C16H14N2O3/c1-20-10-7-8-12(14(9-10)21-2)15-17-13-6-4-3-5-11(13)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Srinakharinwirot University

Curated by ChEMBL


Assay Description
Inhibition of CYP19 (unknown origin) using O-benzyl fluorescein benzyl ester substrate preincubated for 10 mins by fluorimetric analysis relative to ...


Bioorg Med Chem 23: 3472-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.036
BindingDB Entry DOI: 10.7270/Q2CC12FV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094230
PNG
(CHEMBL3586026)
Show SMILES CCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 24n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ghrelin receptor (unknown origin)


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50094227
PNG
(CHEMBL3586029)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C16H14N2O3/c1-20-11-7-10(8-12(9-11)21-2)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 350n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50094230
PNG
(CHEMBL3586026)
Show SMILES CCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 110n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50094231
PNG
(CHEMBL3586025)
Show SMILES CCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C15H12N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50068762
PNG
(2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 37n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50068762
PNG
(2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50068762
PNG
(2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 891n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM65746
PNG
(4-methoxy-2-(4-methoxyphenyl)quinazoline | BRD-K05...)
Show SMILES COc1ccc(cc1)-c1nc(OC)c2ccccc2n1
Show InChI InChI=1S/C16H14N2O2/c1-19-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(18-15)20-2/h3-10H,1-2H3
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PCBioAssay
n/an/an/an/a 6.32E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50106305
PNG
(2-Phenyl-3H-quinazolin-4-one | 2-phenyl-3,4-dihydr...)
Show SMILES O=c1[nH]c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
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n/an/a>5.00E+5n/an/an/an/a7.6n/a



University of Karachi



Assay Description
The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ...


Bioorg Chem 70: 210-221 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.001
BindingDB Entry DOI: 10.7270/Q2QR4W00
More data for this
Ligand-Target Pair