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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'galli' and Initial = 'u'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81395
PNG
(APO-866)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1
Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439676
PNG
(CHEMBL2417796)
Show SMILES CN1CCN(Cc2nc3cc(Br)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccnc4)cc3c(=O)n2C)CC1
Show InChI InChI=1S/C32H34BrN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)
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n/an/a 0.230n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347432
PNG
(CHEMBL1801863)
Show SMILES Cn1c(CN2CCN(CCCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C34H39ClN8O2/c1-3-13-43(28-9-7-26(8-10-28)33(44)38-22-25-6-4-12-37-21-25)23-27-19-29-31(20-30(27)35)39-32(40(2)34(29)45)24-42-17-15-41(16-18-42)14-5-11-36/h1,4,6-10,12,19-21H,5,11,13-18,22-24,36H2,2H3,(H,38,44)
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n/an/a 0.300n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347433
PNG
(CHEMBL1801864)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)nnn(C)c2=O)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C27H27ClN6O2/c1-18(2)10-12-34(17-21-13-23-25(14-24(21)28)31-32-33(3)27(23)36)22-8-6-20(7-9-22)26(35)30-16-19-5-4-11-29-15-19/h4-11,13-15H,12,16-17H2,1-3H3,(H,30,35)
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n/an/a 0.450n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439675
PNG
(CHEMBL2417788)
Show SMILES FC(F)(F)Oc1ccccc1S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C20H16F3N3O4S/c21-20(22,23)30-17-5-1-2-6-18(17)31(28,29)16-9-7-15(8-10-16)26-19(27)25-13-14-4-3-11-24-12-14/h1-12H,13H2,(H2,25,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439678
PNG
(CHEMBL2417789)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1
Show InChI InChI=1S/C20H16ClN5O2S/c21-16-2-1-3-19(12-16)29(27,28)18-6-4-15(5-7-18)13-24-20(25-14-22)26-17-8-10-23-11-9-17/h1-12H,13H2,(H2,23,24,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439677
PNG
(CHEMBL2417790 | US9169209, Table 3, Compound 55)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)\C=C\c1cccnc1
Show InChI InChI=1S/C20H16N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-15H,(H,22,23)/b13-8+
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n/an/a 3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236217
PNG
(CHEMBL4061448)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-32-21-26(30-31-32)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H,29,33)
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n/an/a 3.10n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236220
PNG
(CHEMBL4074848)
Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCOc1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1(8-17-29-20-24(27-28-29)22-13-10-16-26-19-22)2-9-18-30-25-15-7-6-14-23(25)21-11-4-3-5-12-21/h3-7,10-16,19-20H,1-2,8-9,17-18H2
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n/an/a 3.80n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM81395
PNG
(APO-866)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1
Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
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n/an/a 4.90n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50236217
PNG
(CHEMBL4061448)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-32-21-26(30-31-32)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H,29,33)
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n/an/a 4.90n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439680
PNG
(CHEMBL2417798)
Show SMILES Cc1ncsc1C(=O)N1CCC(CCCCNC(=O)c2cc3cnccc3[nH]2)CC1
Show InChI InChI=1S/C22H27N5O2S/c1-15-20(30-14-25-15)22(29)27-10-6-16(7-11-27)4-2-3-8-24-21(28)19-12-17-13-23-9-5-18(17)26-19/h5,9,12-14,16,26H,2-4,6-8,10-11H2,1H3,(H,24,28)
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n/an/a 5.40n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439679
PNG
(CHEMBL2417799)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)c1cc2ccncc2s1
Show InChI InChI=1S/C24H27N3O2S/c28-23(21-16-20-9-13-25-17-22(20)30-21)26-12-5-4-6-18-10-14-27(15-11-18)24(29)19-7-2-1-3-8-19/h1-3,7-9,13,16-18H,4-6,10-12,14-15H2,(H,26,28)
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n/an/a 6.30n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50236220
PNG
(CHEMBL4074848)
Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCOc1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1(8-17-29-20-24(27-28-29)22-13-10-16-26-19-22)2-9-18-30-25-15-7-6-14-23(25)21-11-4-3-5-12-21/h3-7,10-16,19-20H,1-2,8-9,17-18H2
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n/an/a 6.70n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50236219
PNG
(CHEMBL4066091)
Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCCn1cc(nn1)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H29N7/c1(2-9-18-34-21-27(30-32-34)24-14-11-17-29-20-24)3-10-19-35-22-28(31-33-35)26-16-8-7-15-25(26)23-12-5-4-6-13-23/h4-8,11-17,20-22H,1-3,9-10,18-19H2
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n/an/a 7.80n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236219
PNG
(CHEMBL4066091)
Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCCn1cc(nn1)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H29N7/c1(2-9-18-34-21-27(30-32-34)24-14-11-17-29-20-24)3-10-19-35-22-28(31-33-35)26-16-8-7-15-25(26)23-12-5-4-6-13-23/h4-8,11-17,20-22H,1-3,9-10,18-19H2
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n/an/a 8.10n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236221
PNG
(CHEMBL4078882)
Show SMILES C(Cc1ccc(Cn2cc(nn2)-c2cccnc2)cc1)Oc1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H24N4O/c1-2-7-24(8-3-1)26-10-4-5-11-28(26)33-18-16-22-12-14-23(15-13-22)20-32-21-27(30-31-32)25-9-6-17-29-19-25/h1-15,17,19,21H,16,18,20H2
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n/an/a 16n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132093
PNG
(US8841288, CL27e)
Show SMILES OC(=O)c1cccc(Cn2cc(nn2)-c2cccc3c2[nH]c(cc3=O)N2CCOCC2)c1
Show InChI InChI=1S/C23H21N5O4/c29-20-12-21(27-7-9-32-10-8-27)24-22-17(5-2-6-18(20)22)19-14-28(26-25-19)13-15-3-1-4-16(11-15)23(30)31/h1-6,11-12,14H,7-10,13H2,(H,24,29)(H,30,31)
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US Patent
n/an/a 20n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236223
PNG
(CHEMBL4083606)
Show SMILES C(CCCCn1cc(nn1)-c1cccnc1)CCCOc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H30N4O/c1(3-10-19-31-22-26(29-30-31)24-15-12-18-28-21-24)2-4-11-20-32-27-17-9-8-16-25(27)23-13-6-5-7-14-23/h5-9,12-18,21-22H,1-4,10-11,19-20H2
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n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236222
PNG
(CHEMBL4101611)
Show SMILES C(CCCOc1ccccc1-c1ccccc1)CCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C26H28N4O/c1(2-9-18-30-21-25(28-29-30)23-14-11-17-27-20-23)3-10-19-31-26-16-8-7-15-24(26)22-12-5-4-6-13-22/h4-8,11-17,20-21H,1-3,9-10,18-19H2
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n/an/a 31n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236224
PNG
(CHEMBL4088492)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H30N6O/c34-27(30-25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-33-21-26(31-32-33)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H2,29,30,34)
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n/an/a 32n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236216
PNG
(CHEMBL4064240)
Show SMILES O=S(=O)(NCCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c33-35(34,27-17-9-8-16-25(27)23-13-6-5-7-14-23)29-19-10-3-1-2-4-11-20-32-22-26(30-31-32)24-15-12-18-28-21-24/h5-9,12-18,21-22,29H,1-4,10-11,19-20H2
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n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236218
PNG
(CHEMBL4094769)
Show SMILES O=C(CCCCCCCc1cc(on1)-c1cccnc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c32-28(30-26-17-10-9-16-25(26)22-12-5-4-6-13-22)18-8-3-1-2-7-15-24-20-27(33-31-24)23-14-11-19-29-21-23/h4-6,9-14,16-17,19-21H,1-3,7-8,15,18H2,(H,30,32)
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n/an/a 50n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132092
PNG
(US8841288, CL12)
Show SMILES O=c1cc([nH]c2c(cccc12)-c1cn(nn1)-c1ccc(CC#N)cc1)N1CCOCC1
Show InChI InChI=1S/C23H20N6O2/c24-9-8-16-4-6-17(7-5-16)29-15-20(26-27-29)18-2-1-3-19-21(30)14-22(25-23(18)19)28-10-12-31-13-11-28/h1-7,14-15H,8,10-13H2,(H,25,30)
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n/an/a 100n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132095
PNG
(US8841288, CL55a)
Show SMILES OC(=O)CCCn1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H21N5O4/c25-16-11-17(23-7-9-28-10-8-23)20-19-13(3-1-4-14(16)19)15-12-24(22-21-15)6-2-5-18(26)27/h1,3-4,11-12H,2,5-10H2,(H,20,25)(H,26,27)
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n/an/a 100n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132096
PNG
(US8841288, CL55b)
Show SMILES OC(=O)c1cccc(c1)-n1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H19N5O4/c28-19-12-20(26-7-9-31-10-8-26)23-21-16(5-2-6-17(19)21)18-13-27(25-24-18)15-4-1-3-14(11-15)22(29)30/h1-6,11-13H,7-10H2,(H,23,28)(H,29,30)
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n/an/a 100n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132097
PNG
(US8841288, CL 64a)
Show SMILES OC(=O)CCCCn1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H23N5O4/c26-17-12-18(24-8-10-29-11-9-24)21-20-14(4-3-5-15(17)20)16-13-25(23-22-16)7-2-1-6-19(27)28/h3-5,12-13H,1-2,6-11H2,(H,21,26)(H,27,28)
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n/an/a 100n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132098
PNG
(US8841288, CL 129A)
Show SMILES O=C(NCc1ccccc1)c1cccc(Cn2cc(nn2)-c2cccc3c2[nH]c(cc3=O)N2CCOCC2)c1
Show InChI InChI=1S/C30H28N6O3/c37-27-17-28(35-12-14-39-15-13-35)32-29-24(10-5-11-25(27)29)26-20-36(34-33-26)19-22-8-4-9-23(16-22)30(38)31-18-21-6-2-1-3-7-21/h1-11,16-17,20H,12-15,18-19H2,(H,31,38)(H,32,37)
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n/an/a 140n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132091
PNG
(US8841288, CL5)
Show SMILES O=c1cc([nH]c2c(cccc12)-c1cn(Cc2ccccc2)nn1)N1CCOCC1
Show InChI InChI=1S/C22H21N5O2/c28-20-13-21(26-9-11-29-12-10-26)23-22-17(7-4-8-18(20)22)19-15-27(25-24-19)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,23,28)
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n/an/a 260n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132089
PNG
(US8841288, TP714)
Show SMILES Oc1ccccc1-n1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H19N5O3/c27-18-7-2-1-6-17(18)26-13-16(23-24-26)14-4-3-5-15-19(28)12-20(22-21(14)15)25-8-10-29-11-9-25/h1-7,12-13,27H,8-11H2,(H,22,28)
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n/an/a 260n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236215
PNG
(CHEMBL4087071)
Show SMILES O=C(CCCCCCCc1nnc([nH]1)-c1cccnc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c33-26(29-24-16-10-9-15-23(24)21-12-5-4-6-13-21)18-8-3-1-2-7-17-25-30-27(32-31-25)22-14-11-19-28-20-22/h4-6,9-16,19-20H,1-3,7-8,17-18H2,(H,29,33)(H,30,31,32)
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n/an/a 269n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132094
PNG
(US8841288, CL29a)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(nn1)-c1cccc2c1[nH]c(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H19N5O4/c28-19-12-20(26-8-10-31-11-9-26)23-21-16(2-1-3-17(19)21)18-13-27(25-24-18)15-6-4-14(5-7-15)22(29)30/h1-7,12-13H,8-11H2,(H,23,28)(H,29,30)
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n/an/a 320n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50195963
PNG
((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1
Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+
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n/an/a 330n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii oxidosqualene cyclase


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50195962
PNG
((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...)
Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C
Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+
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n/an/a 360n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii oxidosqualene cyclase


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Saccharomyces cerevisiae)
BDBM50195963
PNG
((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1
Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+
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n/an/a 450n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cervisiae oxidosqualene cyclase


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM132090
PNG
(US8841288, CL1)
Show SMILES O=c1cc([nH]c2c(cccc12)-c1cn(nn1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H19N5O2/c27-19-13-20(25-9-11-28-12-10-25)22-21-16(7-4-8-17(19)21)18-14-26(24-23-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,27)
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n/an/a 730n/an/an/an/an/a25



Universtà Degli Studi di Torino; Università Degli Studi del Piemonte Orientale “Amedeo Avogadro”

US Patent


Assay Description
Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-...


US Patent US8841288 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H5X
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50195962
PNG
((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...)
Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C
Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+
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n/an/a 850n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human oxidosqualene cyclase expressed in Pichia pastoris cells


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50195963
PNG
((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1
Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human oxidosqualene cyclase expressed in Pichia pastoris cells


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50195965
PNG
(CHEMBL392250 | [(4E,8E)-10-(3-biphenyl-4-yl-propox...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H41NO/c1-25(13-9-22-30(3)4)11-8-12-26(2)21-24-31-23-10-14-27-17-19-29(20-18-27)28-15-6-5-7-16-28/h5-7,11,15-21H,8-10,12-14,22-24H2,1-4H3/b25-11+,26-21+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii oxidosqualene cyclase


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Saccharomyces cerevisiae)
BDBM50195962
PNG
((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...)
Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C
Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+
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n/an/a 1.78E+3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cervisiae oxidosqualene cyclase


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50195965
PNG
(CHEMBL392250 | [(4E,8E)-10-(3-biphenyl-4-yl-propox...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H41NO/c1-25(13-9-22-30(3)4)11-8-12-26(2)21-24-31-23-10-14-27-17-19-29(20-18-27)28-15-6-5-7-16-28/h5-7,11,15-21H,8-10,12-14,22-24H2,1-4H3/b25-11+,26-21+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human oxidosqualene cyclase expressed in Pichia pastoris cells


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50005031
PNG
(CHEMBL2417792)
Show SMILES Nc1c(-c2ccc3ccccc3n2)c2ccc(cc2c(=O)n1Cc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C25H18N4O3/c26-24-23(22-13-10-17-8-4-5-9-21(17)27-22)19-12-11-18(29(31)32)14-20(19)25(30)28(24)15-16-6-2-1-3-7-16/h1-14H,15,26H2
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n/an/a<5.00E+3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human U87 cells


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50371200
PNG
(CHEMBL246795)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1cccc2ccccc12
Show InChI InChI=1S/C27H39NO/c1-23(13-9-20-28(3)4)11-7-12-24(2)19-22-29-21-10-17-26-16-8-15-25-14-5-6-18-27(25)26/h5-6,8,11,14-16,18-19H,7,9-10,12-13,17,20-22H2,1-4H3/b23-11+,24-19+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii oxidosqualene cyclase


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50389436
PNG
(CHEMBL1501622)
Show SMILES Cc1ccncc1C(N)=O
Show InChI InChI=1S/C7H8N2O/c1-5-2-3-9-4-6(5)7(8)10/h2-4H,1H3,(H2,8,10)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 expressed in Escherichia coli using Z-MAL as substrate after 6 hrs by fluorescence assay


Eur J Med Chem 55: 58-66 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.001
BindingDB Entry DOI: 10.7270/Q20K29NG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM17471
PNG
(1,2,3-triazole analogue, 27 | 3-(1H-1,2,3-triazol-...)
Show SMILES c1[nH]nnc1-c1cccnc1
Show InChI InChI=1S/C7H6N4/c1-2-6(4-8-3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 expressed in Escherichia coli using Z-MAL as substrate after 6 hrs by fluorescence assay


Eur J Med Chem 55: 58-66 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.001
BindingDB Entry DOI: 10.7270/Q20K29NG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 3.77E+5n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 expressed in Escherichia coli using Z-MAL as substrate after 6 hrs by fluorescence assay


Eur J Med Chem 55: 58-66 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.001
BindingDB Entry DOI: 10.7270/Q20K29NG
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439681
PNG
(CHEMBL2417797)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]1cccc(\C=C\C(=O)NCCCCC2CCN(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1
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n/an/an/a 4.50E+4n/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)