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4 similar compounds to monomer 50202639

Compile data set for download or QSAR
Wt: 586.6
BDBM50202630
Wt: 370.4
BDBM50202664
Wt: 398.4
BDBM50202650
Wt: 442.4
BDBM50202651

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50202630,50202664,50202650,50202651   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50202630
PNG
(CHEMBL3933347)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN4CCCC4)cc3)c2c1
Show InChI InChI=1S/C32H28F2N4O3S/c1-41-32-30(37-42(39,40)31-11-9-25(33)18-28(31)34)17-24(19-36-32)23-8-10-29-27(16-23)26(12-13-35-29)22-6-4-21(5-7-22)20-38-14-2-3-15-38/h4-13,16-19,37H,2-3,14-15,20H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay


Eur J Med Chem 122: 684-701 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.030
BindingDB Entry DOI: 10.7270/Q2VD71FD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50202650
PNG
(CHEMBL3907541)
Show SMILES O=C(NCc1ccc(NS(=O)(=O)C2CCCC2)cc1)c1cc2cnccc2[nH]1
Show InChI InChI=1S/C20H22N4O3S/c25-20(19-11-15-13-21-10-9-18(15)23-19)22-12-14-5-7-16(8-6-14)24-28(26,27)17-3-1-2-4-17/h5-11,13,17,23-24H,1-4,12H2,(H,22,25)
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n/an/a 360n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50202651
PNG
(CHEMBL3986623)
Show SMILES Nc1cc2[nH]c(cc2cn1)C(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H16F2N4O3S/c22-14-6-15(23)8-17(7-14)31(29,30)16-3-1-12(2-4-16)10-26-21(28)19-5-13-11-25-20(24)9-18(13)27-19/h1-9,11,27H,10H2,(H2,24,25)(H,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50202664
PNG
(CHEMBL3925878)
Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50202664
PNG
(CHEMBL3925878)
Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27)
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n/an/a 13n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50202650
PNG
(CHEMBL3907541)
Show SMILES O=C(NCc1ccc(NS(=O)(=O)C2CCCC2)cc1)c1cc2cnccc2[nH]1
Show InChI InChI=1S/C20H22N4O3S/c25-20(19-11-15-13-21-10-9-18(15)23-19)22-12-14-5-7-16(8-6-14)24-28(26,27)17-3-1-2-4-17/h5-11,13,17,23-24H,1-4,12H2,(H,22,25)
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n/an/a 27n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50202664
PNG
(CHEMBL3925878)
Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27)
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n/an/a 4.40n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50202651
PNG
(CHEMBL3986623)
Show SMILES Nc1cc2[nH]c(cc2cn1)C(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H16F2N4O3S/c22-14-6-15(23)8-17(7-14)31(29,30)16-3-1-12(2-4-16)10-26-21(28)19-5-13-11-25-20(24)9-18(13)27-19/h1-9,11,27H,10H2,(H2,24,25)(H,26,28)
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n/an/a 58n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50202651
PNG
(CHEMBL3986623)
Show SMILES Nc1cc2[nH]c(cc2cn1)C(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H16F2N4O3S/c22-14-6-15(23)8-17(7-14)31(29,30)16-3-1-12(2-4-16)10-26-21(28)19-5-13-11-25-20(24)9-18(13)27-19/h1-9,11,27H,10H2,(H2,24,25)(H,26,28)
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n/an/a 64n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50202650
PNG
(CHEMBL3907541)
Show SMILES O=C(NCc1ccc(NS(=O)(=O)C2CCCC2)cc1)c1cc2cnccc2[nH]1
Show InChI InChI=1S/C20H22N4O3S/c25-20(19-11-15-13-21-10-9-18(15)23-19)22-12-14-5-7-16(8-6-14)24-28(26,27)17-3-1-2-4-17/h5-11,13,17,23-24H,1-4,12H2,(H,22,25)
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n/an/a 14n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...


J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair