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6 similar compounds to monomer 50125790

Wt: 413.8
BDBM50125801
Wt: 327.2
BDBM50125794
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Wt: 347.2
BDBM50125817
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Wt: 331.3
BDBM50125830
Wt: 396.4
BDBM50125826
Wt: 328.3
BDBM50125800
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50125801,50125794,50125817,50125830,50125826,50125800   
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
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
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PubMed
90n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to PA N-terminal domain (Competitive)


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50125794
PNG
(CHEMBL3623852)
Show SMILES OP(O)(=O)[C@H](NCCc1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C15H16F2NO3P/c16-13-5-1-11(2-6-13)9-10-18-15(22(19,20)21)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2,(H2,19,20,21)/t15-/m0/s1
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PubMed
n/an/an/a>2.00E+5n/an/an/an/an/a



Bioinformatics Institute (BII)

Curated by ChEMBL


Assay Description
Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay


J Med Chem 58: 8285-91 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01216
BindingDB Entry DOI: 10.7270/Q2NS0WR2
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50125800
PNG
(CHEMBL3623849)
Show SMILES OC(=O)CSc1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c20-16(21)12-23-17-18-14-8-4-5-9-15(14)19(17)10-11-22-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)
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n/an/an/a 1.20E+5n/an/an/an/an/a



Bioinformatics Institute (BII)

Curated by ChEMBL


Assay Description
Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay


J Med Chem 58: 8285-91 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01216
BindingDB Entry DOI: 10.7270/Q2NS0WR2
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50125817
PNG
(CHEMBL3623845)
Show SMILES OC(=O)C\C(=C\c1cccc(c1)C(F)(F)F)c1nc2ccccc2o1
Show InChI InChI=1S/C18H12F3NO3/c19-18(20,21)13-5-3-4-11(9-13)8-12(10-16(23)24)17-22-14-6-1-2-7-15(14)25-17/h1-9H,10H2,(H,23,24)/b12-8-
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n/an/an/a>2.00E+5n/an/an/an/an/a



Bioinformatics Institute (BII)

Curated by ChEMBL


Assay Description
Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay


J Med Chem 58: 8285-91 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01216
BindingDB Entry DOI: 10.7270/Q2NS0WR2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens)
BDBM50125826
PNG
(CHEMBL3623891)
Show SMILES Cc1cc(ccn1)-c1ccc(NCC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
Show InChI InChI=1S/C23H20N6O/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)27-15-23(30)29-22-7-4-19(13-28-22)21-14-24-10-11-26-21/h2-14,27H,15H2,1H3,(H,28,29,30)
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n/an/a 0.960n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in mouse L Wnt3A cells co-cultured with TM3 cells harboring luciferase reporter gene assessed as r...


Bioorg Med Chem 23: 6855-68 (2015)


Article DOI: 10.1016/j.bmc.2015.09.048
BindingDB Entry DOI: 10.7270/Q2J10500
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Influenza replication


Antimicrob Agents Chemother 40: 1304-7 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ09B6
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
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n/an/a 350n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
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n/an/an/an/a 860n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Plaque growth inhibition


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
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n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 40: 1304-7 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ09B6
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,28,29)
PDB
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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens)
BDBM50125830
PNG
(CHEMBL3623888)
Show SMILES O=C(COc1ccc(cc1)C#N)Nc1ccc(cn1)-c1cnccn1
Show InChI InChI=1S/C18H13N5O2/c19-9-13-1-4-15(5-2-13)25-12-18(24)23-17-6-3-14(10-22-17)16-11-20-7-8-21-16/h1-8,10-11H,12H2,(H,22,23,24)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 485n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in mouse L Wnt3A cells co-cultured with TM3 cells harboring luciferase reporter gene assessed as r...


Bioorg Med Chem 23: 6855-68 (2015)


Article DOI: 10.1016/j.bmc.2015.09.048
BindingDB Entry DOI: 10.7270/Q2J10500
More data for this
Ligand-Target Pair