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11 similar compounds to monomer 50197301

Compile data set for download or QSAR
Wt: 450.4
BDBM50197295
Wt: 423.4
BDBM50197286
Wt: 344.3
BDBM50197298
Wt: 610.4
BDBM50197300
Wt: 288.2
BDBM50197302
Wt: 410.4
BDBM50197277
Purchase
Wt: 380.4
BDBM50197279
Wt: 392.4
BDBM50197280
Wt: 404.4
BDBM50197281
Wt: 375.4
BDBM50197289
Wt: 417.3
BDBM50197291

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50197295,50197286,50197298,50197300,50197302,50197277,50197279,50197280,50197281,50197289,50197291   
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
Yersiniabactin non-ribosomal peptide synthetase HMWP2


(Yersinia pestis)
BDBM50197291
PNG
(ALASA | AlaSA)
Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Weill Cornell Graduate School of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...


Bioorg Med Chem Lett 26: 5340-5345 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.027
BindingDB Entry DOI: 10.7270/Q2CZ394B
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50197279
PNG
(CHEMBL3914927)
Show SMILES Cn1nccc1-c1ccc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1
Show InChI InChI=1S/C24H20N4O/c1-28-23(12-13-26-28)17-8-6-16(7-9-17)15-25-24(29)18-10-11-20-19-4-2-3-5-21(19)27-22(20)14-18/h2-14,27H,15H2,1H3,(H,25,29)
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n/an/a 130n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay


Bioorg Med Chem 24: 5861-5872 (2016)


Article DOI: 10.1016/j.bmc.2016.09.041
BindingDB Entry DOI: 10.7270/Q2HQ41VN
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50197280
PNG
(CHEMBL3968159)
Show SMILES Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3c(c2)oc2ccccc32)cc1
Show InChI InChI=1S/C26H20N2O2/c1-17-14-20(12-13-27-17)19-8-6-18(7-9-19)16-28-26(29)21-10-11-23-22-4-2-3-5-24(22)30-25(23)15-21/h2-15H,16H2,1H3,(H,28,29)
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n/an/a 9.10n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay


Bioorg Med Chem 24: 5861-5872 (2016)


Article DOI: 10.1016/j.bmc.2016.09.041
BindingDB Entry DOI: 10.7270/Q2HQ41VN
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50197281
PNG
(CHEMBL3969251)
Show SMILES Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1
Show InChI InChI=1S/C27H20N2O2/c1-17-14-20(12-13-28-17)19-8-6-18(7-9-19)16-29-27(31)21-10-11-23-22-4-2-3-5-24(22)26(30)25(23)15-21/h2-15H,16H2,1H3,(H,29,31)
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n/an/a 85n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay


Bioorg Med Chem 24: 5861-5872 (2016)


Article DOI: 10.1016/j.bmc.2016.09.041
BindingDB Entry DOI: 10.7270/Q2HQ41VN
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50197286
PNG
(CHEMBL3965048)
Show SMILES Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1F
Show InChI InChI=1S/C26H18FN3O2/c1-15-10-17(8-9-28-15)24-23(27)11-16(13-29-24)14-30-26(32)18-6-7-20-19-4-2-3-5-21(19)25(31)22(20)12-18/h2-13H,14H2,1H3,(H,30,32)
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n/an/a 44n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay


Bioorg Med Chem 24: 5861-5872 (2016)


Article DOI: 10.1016/j.bmc.2016.09.041
BindingDB Entry DOI: 10.7270/Q2HQ41VN
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50197289
PNG
(CHEMBL3970733)
Show SMILES O=C(NCc1ccc-2c(Cc3ccccc-23)c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H21NO/c29-27(22-13-11-21(12-14-22)20-6-2-1-3-7-20)28-18-19-10-15-26-24(16-19)17-23-8-4-5-9-25(23)26/h1-16H,17-18H2,(H,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay


Bioorg Med Chem 24: 5861-5872 (2016)


Article DOI: 10.1016/j.bmc.2016.09.041
BindingDB Entry DOI: 10.7270/Q2HQ41VN
More data for this
Ligand-Target Pair
Yersiniabactin non-ribosomal peptide synthetase HMWP2


(Yersinia pestis)
BDBM50197291
PNG
(ALASA | AlaSA)
Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Weill Cornell Graduate School of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...


Bioorg Med Chem Lett 26: 5340-5345 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.027
BindingDB Entry DOI: 10.7270/Q2CZ394B
More data for this
Ligand-Target Pair
Yersiniabactin non-ribosomal peptide synthetase HMWP2


(Yersinia pestis)
BDBM50197295
PNG
(CHEMBL3934723)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](O)CS)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H18N6O8S2/c14-10-7-11(16-3-15-10)19(4-17-7)13-9(22)8(21)6(27-13)1-26-29(24,25)18-12(23)5(20)2-28/h3-6,8-9,13,20-22,28H,1-2H2,(H,18,23)(H2,14,15,16)/t5-,6+,8+,9+,13+/m0/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



Weill Cornell Graduate School of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli...


Bioorg Med Chem Lett 26: 5340-5345 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.027
BindingDB Entry DOI: 10.7270/Q2CZ394B
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50197298
PNG
(CHEMBL3947694)
Show SMILES CC(C)(C)c1ccc(Cn2[se]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C18H19NOSe/c1-18(2,3)14-10-8-13(9-11-14)12-19-17(20)15-6-4-5-7-16(15)21-19/h4-11H,12H2,1-3H3
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n/an/a 8.85E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as substrate preincubated for 30 mins followed by substrate addition by ...


Bioorg Med Chem Lett 26: 5254-5259 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.050
BindingDB Entry DOI: 10.7270/Q28917T7
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50197300
PNG
(CHEMBL3912164 | ebselen derivative 2e)
Show SMILES COc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C28H24N2O4Se2/c1-33-23-15-7-5-13-21(23)29-27(31)19-11-3-9-17-25(19)35-36-26-18-10-4-12-20(26)28(32)30-22-14-6-8-16-24(22)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)
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n/an/a 6.79E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as substrate preincubated for 30 mins followed by substrate addition by ...


Bioorg Med Chem Lett 26: 5254-5259 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.050
BindingDB Entry DOI: 10.7270/Q28917T7
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50197302
PNG
(CHEMBL3920474)
Show SMILES O=c1n(Cc2ccccc2)[se]c2ccccc12
Show InChI InChI=1S/C14H11NOSe/c16-14-12-8-4-5-9-13(12)17-15(14)10-11-6-2-1-3-7-11/h1-9H,10H2
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n/an/a 320n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as substrate preincubated for 30 mins followed by substrate addition by ...


Bioorg Med Chem Lett 26: 5254-5259 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.050
BindingDB Entry DOI: 10.7270/Q28917T7
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50197277
PNG
(CHEMBL3972086)
Show SMILES Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1F
Show InChI InChI=1S/C25H19FN4O/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(31)18-6-7-20-19-4-2-3-5-22(19)30-23(20)12-18/h2-13,30H,14H2,1H3,(H,29,31)
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n/an/a 71n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GR...


Eur J Med Chem 149: 110-121 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.034
BindingDB Entry DOI: 10.7270/Q2PR7ZMQ
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM50197277
PNG
(CHEMBL3972086)
Show SMILES Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1F
Show InChI InChI=1S/C25H19FN4O/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(31)18-6-7-20-19-4-2-3-5-22(19)30-23(20)12-18/h2-13,30H,14H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Bodipy-cyclopamine binding to human Smo expressed in human U2OS cells after 2 hrs by high content fluorescence imaging analysis


Eur J Med Chem 149: 110-121 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.034
BindingDB Entry DOI: 10.7270/Q2PR7ZMQ
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50197300
PNG
(CHEMBL3912164 | ebselen derivative 2e)
Show SMILES COc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C28H24N2O4Se2/c1-33-23-15-7-5-13-21(23)29-27(31)19-11-3-9-17-25(19)35-36-26-18-10-4-12-20(26)28(32)30-22-14-6-8-16-24(22)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)
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n/an/a 263n/an/an/an/an/an/a



University ofAmsterdam



Assay Description
The inhibitor was screened against recombinant PL​pro​SARS and PL​pro​CoV2 at 37°Cin the assay buffer as described above. For...


bioRxiv 1-12 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9FGT
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50197277
PNG
(CHEMBL3972086)
Show SMILES Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1F
Show InChI InChI=1S/C25H19FN4O/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(31)18-6-7-20-19-4-2-3-5-22(19)30-23(20)12-18/h2-13,30H,14H2,1H3,(H,29,31)
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n/an/a 0.5n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay


Bioorg Med Chem 24: 5861-5872 (2016)


Article DOI: 10.1016/j.bmc.2016.09.041
BindingDB Entry DOI: 10.7270/Q2HQ41VN
More data for this
Ligand-Target Pair