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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'genazzani' and Initial = 'aa'   
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 [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1cc2c(cc1Cl)nnn(-[#6])c2=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1
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 | US11279687, Compound 196)
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 |w:20.21|
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


(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 2.70n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
BDBM50515548
PNG
(CHEMBL4458472)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1ccnn1
Show InChI InChI=1S/C23H26N8O/c32-23(20-10-4-5-11-22(20)31-16-14-26-28-31)25-13-6-2-1-3-7-15-30-18-21(27-29-30)19-9-8-12-24-17-19/h4-5,8-12,14,16-18H,1-3,6-7,13,15H2,(H,25,32)
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n/an/a 3.40n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
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


(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


(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))
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)
BDBM50515544
PNG
(CHEMBL4535593)
Show SMILES CN1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C29H38N10O/c1-36-16-18-37(19-17-36)21-25-22-39(35-32-25)28-12-6-5-11-26(28)29(40)31-14-7-3-2-4-8-15-38-23-27(33-34-38)24-10-9-13-30-20-24/h5-6,9-13,20,22-23H,2-4,7-8,14-19,21H2,1H3,(H,31,40)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
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
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515540
PNG
(CHEMBL4470375)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCCCC2)nn1
Show InChI InChI=1S/C29H37N9O/c39-29(26-13-5-6-14-28(26)38-22-25(32-35-38)21-36-17-8-4-9-18-36)31-16-7-2-1-3-10-19-37-23-27(33-34-37)24-12-11-15-30-20-24/h5-6,11-15,20,22-23H,1-4,7-10,16-19,21H2,(H,31,39)
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n/an/a 17n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515543
PNG
(CHEMBL4464821)
Show SMILES CCOC(=O)C1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C32H41N9O3/c1-2-44-32(43)25-14-19-39(20-15-25)22-27-23-41(38-35-27)30-13-7-6-12-28(30)31(42)34-17-8-4-3-5-9-18-40-24-29(36-37-40)26-11-10-16-33-21-26/h6-7,10-13,16,21,23-25H,2-5,8-9,14-15,17-20,22H2,1H3,(H,34,42)
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n/an/a 21n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515551
PNG
(CHEMBL4446772)
Show SMILES CC(C)N1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C31H42N10O/c1-25(2)39-19-17-38(18-20-39)22-27-23-41(37-34-27)30-13-7-6-12-28(30)31(42)33-15-8-4-3-5-9-16-40-24-29(35-36-40)26-11-10-14-32-21-26/h6-7,10-14,21,23-25H,3-5,8-9,15-20,22H2,1-2H3,(H,33,42)
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n/an/a 25n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
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)
BDBM50515552
PNG
(CHEMBL4469394)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCCC2)nn1
Show InChI InChI=1S/C28H35N9O/c38-28(25-12-4-5-13-27(25)37-21-24(31-34-37)20-35-16-8-9-17-35)30-15-6-2-1-3-7-18-36-22-26(32-33-36)23-11-10-14-29-19-23/h4-5,10-14,19,21-22H,1-3,6-9,15-18,20H2,(H,30,38)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515556
PNG
(CHEMBL4555764)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H28N6O/c33-26(24-13-5-4-12-23(24)21-10-8-14-27-18-21)29-16-6-2-1-3-7-17-32-20-25(30-31-32)22-11-9-15-28-19-22/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,29,33)
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n/an/a 29n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
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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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)
BDBM50515541
PNG
(CHEMBL4590810)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H29N5O3/c34-27(24-14-6-4-12-22(24)23-13-5-7-15-25(23)28(35)36)30-17-8-2-1-3-9-18-33-20-26(31-32-33)21-11-10-16-29-19-21/h4-7,10-16,19-20H,1-3,8-9,17-18H2,(H,30,34)(H,35,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515545
PNG
(CHEMBL4440197)
Show SMILES CN(C)Cc1cn(nn1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C26H33N9O/c1-33(2)18-22-19-35(32-29-22)25-13-7-6-12-23(25)26(36)28-15-8-4-3-5-9-16-34-20-24(30-31-34)21-11-10-14-27-17-21/h6-7,10-14,17,19-20H,3-5,8-9,15-16,18H2,1-2H3,(H,28,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515546
PNG
(CHEMBL4577703)
Show SMILES OC1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C29H37N9O2/c39-25-12-17-36(18-13-25)20-24-21-38(35-32-24)28-11-5-4-10-26(28)29(40)31-15-6-2-1-3-7-16-37-22-27(33-34-37)23-9-8-14-30-19-23/h4-5,8-11,14,19,21-22,25,39H,1-3,6-7,12-13,15-18,20H2,(H,31,40)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515547
PNG
(CHEMBL4444551)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C23H26N8O/c32-23(20-11-5-4-10-19(20)21-16-26-29-27-21)25-13-6-2-1-3-7-14-31-17-22(28-30-31)18-9-8-12-24-15-18/h4-5,8-12,15-17H,1-3,6-7,13-14H2,(H,25,32)(H,26,27,29)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
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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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
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515542
PNG
(CHEMBL4569066)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCOCC2)nn1
Show InChI InChI=1S/C28H35N9O2/c38-28(25-10-4-5-11-27(25)37-21-24(31-34-37)20-35-15-17-39-18-16-35)30-13-6-2-1-3-7-14-36-22-26(32-33-36)23-9-8-12-29-19-23/h4-5,8-12,19,21-22H,1-3,6-7,13-18,20H2,(H,30,38)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515553
PNG
(CHEMBL4567518)
Show SMILES OCCN(CCO)Cc1cn(nn1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H37N9O3/c38-17-15-35(16-18-39)20-24-21-37(34-31-24)27-11-5-4-10-25(27)28(40)30-13-6-2-1-3-7-14-36-22-26(32-33-36)23-9-8-12-29-19-23/h4-5,8-12,19,21-22,38-39H,1-3,6-7,13-18,20H2,(H,30,40)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515550
PNG
(CHEMBL4462010)
Show SMILES NC(=O)c1ccccc1-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H30N6O2/c29-27(35)24-14-6-4-12-22(24)23-13-5-7-15-25(23)28(36)31-17-8-2-1-3-9-18-34-20-26(32-33-34)21-11-10-16-30-19-21/h4-7,10-16,19-20H,1-3,8-9,17-18H2,(H2,29,35)(H,31,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50461837
PNG
(CHEMBL4226608)
Show SMILES [#6]-[#8]-c1cc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(I)cc1-[#8]
Show InChI InChI=1S/C20H26INO5/c1-13(2)6-5-7-14(3)8-20(25)27-12-19(24)22-11-15-9-18(26-4)17(23)10-16(15)21/h6,8-10,23H,5,7,11-12H2,1-4H3,(H,22,24)/b14-8+
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as inhibition of capsaicin-induced calcium increase after 25 ...


J Med Chem 61: 4436-4455 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00109
BindingDB Entry DOI: 10.7270/Q2PK0JSM
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1


(Homo sapiens (Human))
BDBM50549365
PNG
(CHEMBL3403742)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(NC(=O)c2ccncc2F)cc1
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TBA

Assay Description
Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01305
BindingDB Entry DOI: 10.7270/Q2HH6PPZ
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
Short transient receptor potential channel 1


(Homo sapiens)
BDBM50450630
PNG
(CHEMBL101896)
Show SMILES Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29)
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n/an/a 300n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...


J Med Chem 61: 9756-9783 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01512
BindingDB Entry DOI: 10.7270/Q2QV3Q2G
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1


(Homo sapiens (Human))
BDBM50549358
PNG
(CHEMBL4753023)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
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TBA

Assay Description
Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01305
BindingDB Entry DOI: 10.7270/Q2HH6PPZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 500n/an/an/an/an/an/a



Universita degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human SHSY5Y cells by fluorimetric cellular activity assay


J Med Chem 52: 2776-85 (2009)


Article DOI: 10.1021/jm801529c
BindingDB Entry DOI: 10.7270/Q2D221F1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Short transient receptor potential channel 1


(Homo sapiens)
BDBM50450629
PNG
(CHEMBL4177187)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cnn(c1C(F)(F)F)-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1
Show InChI InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...


J Med Chem 61: 9756-9783 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01512
BindingDB Entry DOI: 10.7270/Q2QV3Q2G
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515555
PNG
(CHEMBL4070645)
Show SMILES [O-][n+]1cccc(c1)-c1cn(CCCCCCCNC(=O)c2ccccc2-c2ccccc2)nn1
Show InChI InChI=1S/C27H29N5O2/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)28-17-9-2-1-3-10-18-31-21-26(29-30-31)23-14-11-19-32(34)20-23/h4-8,11-16,19-21H,1-3,9-10,17-18H2,(H,28,33)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515554
PNG
(CHEMBL4561248)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H29N5O3/c34-27(25-14-5-4-13-24(25)21-10-8-11-22(18-21)28(35)36)30-16-6-2-1-3-7-17-33-20-26(31-32-33)23-12-9-15-29-19-23/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,30,34)(H,35,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515549
PNG
(CHEMBL4555772)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H29N5O3/c34-27(25-11-5-4-10-24(25)21-12-14-22(15-13-21)28(35)36)30-17-6-2-1-3-7-18-33-20-26(31-32-33)23-9-8-16-29-19-23/h4-5,8-16,19-20H,1-3,6-7,17-18H2,(H,30,34)(H,35,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel protein 1/Short transient receptor potential channel 1/Short transient receptor potential channel 3/Stromal interaction molecule 1


(Homo sapiens (Human))
BDBM50450626
PNG
(CHEMBL4162723)
Show SMILES CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H16F3N5O4/c1-2-34-21(33)17-11-26-30(19(17)22(23,24)25)16-8-6-15(7-9-16)29-12-18(27-28-29)13-4-3-5-14(10-13)20(31)32/h3-12H,2H2,1H3,(H,31,32)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...


J Med Chem 61: 9756-9783 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01512
BindingDB Entry DOI: 10.7270/Q2QV3Q2G
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1


(Homo sapiens (Human))
BDBM50549357
PNG
(CHEMBL4794288)
Show SMILES COc1cccc(-c2ccc(cc2)-c2cn(nn2)-c2cccc(c2)C(O)=O)c1OC
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TBA

Assay Description
Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01305
BindingDB Entry DOI: 10.7270/Q2HH6PPZ
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1


(Homo sapiens (Human))
BDBM50549360
PNG
(CHEMBL4780000)
Show SMILES COc1cc(OC)cc(c1)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
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TBA

Assay Description
Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01305
BindingDB Entry DOI: 10.7270/Q2HH6PPZ
More data for this
Ligand-Target Pair
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