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27 similar compounds to monomer 50156282

Compile data set for download or QSAR
Wt: 403.4
BDBM50156286
Wt: 388.4
BDBM50156288
Wt: 344.4
BDBM50156290
Wt: 327.4
BDBM50156292
Wt: 285.3
BDBM50156281
Wt: 354.4
BDBM50156293
Wt: 409.4
BDBM50156295
Wt: 391.4
BDBM50156296
Wt: 389.4
BDBM50156297
Wt: 403.4
BDBM50156299
Wt: 334.3
BDBM50156300
Wt: 340.3
BDBM50156289
Wt: 319.3
BDBM50156294
Wt: 375.4
BDBM50156298
Wt: 441.5
BDBM50223715
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50156286,50156288,50156290,50156292,50156281,50156293,50156295,50156296,50156297,50156299,50156300,50156289,50156294,50156298,50223715   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50156288
PNG
(CHEMBL3780346)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C23H20N2O4/c1-28-22-14-17(12-13-21(22)26)19-15-20(16-8-4-2-5-9-16)25(24-19)23(27)29-18-10-6-3-7-11-18/h2-14,20,26H,15H2,1H3
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290n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50156289
PNG
(CHEMBL3780057)
Show SMILES CCOC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C19H20N2O4/c1-3-25-19(23)21-16(13-7-5-4-6-8-13)12-15(20-21)14-9-10-17(22)18(11-14)24-2/h4-11,16,22H,3,12H2,1-2H3
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440n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50156286
PNG
(CHEMBL3780858)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C23H21N3O2S/c1-28-22-14-17(12-13-21(22)27)19-15-20(16-8-4-2-5-9-16)26(25-19)23(29)24-18-10-6-3-7-11-18/h2-14,20,27H,15H2,1H3,(H,24,29)
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550n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50156290
PNG
(CHEMBL3781033)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c1-26-22-14-17(12-13-21(22)25)19-15-20(16-8-4-2-5-9-16)24(23-19)18-10-6-3-7-11-18/h2-14,20,25H,15H2,1H3
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2.16E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50156292
PNG
(CHEMBL3781838)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(N)=S
Show InChI InChI=1S/C17H17N3O2S/c1-22-16-9-12(7-8-15(16)21)13-10-14(20(19-13)17(18)23)11-5-3-2-4-6-11/h2-9,14,21H,10H2,1H3,(H2,18,23)
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2.58E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50156292
PNG
(CHEMBL3781838)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(N)=S
Show InChI InChI=1S/C17H17N3O2S/c1-22-16-9-12(7-8-15(16)21)13-10-14(20(19-13)17(18)23)11-5-3-2-4-6-11/h2-9,14,21H,10H2,1H3,(H2,18,23)
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2.78E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50156288
PNG
(CHEMBL3780346)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C23H20N2O4/c1-28-22-14-17(12-13-21(22)26)19-15-20(16-8-4-2-5-9-16)25(24-19)23(27)29-18-10-6-3-7-11-18/h2-14,20,26H,15H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50156286
PNG
(CHEMBL3780858)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C23H21N3O2S/c1-28-22-14-17(12-13-21(22)27)19-15-20(16-8-4-2-5-9-16)26(25-19)23(29)24-18-10-6-3-7-11-18/h2-14,20,27H,15H2,1H3,(H,24,29)
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1.59E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50156290
PNG
(CHEMBL3781033)
Show SMILES COc1cc(ccc1O)C1=NN(C(C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c1-26-22-14-17(12-13-21(22)25)19-15-20(16-8-4-2-5-9-16)24(23-19)18-10-6-3-7-11-18/h2-14,20,25H,15H2,1H3
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2.80E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50156289
PNG
(CHEMBL3780057)
Show SMILES CCOC(=O)N1N=C(CC1c1ccccc1)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C19H20N2O4/c1-3-25-19(23)21-16(13-7-5-4-6-8-13)12-15(20-21)14-9-10-17(22)18(11-14)24-2/h4-11,16,22H,3,12H2,1-2H3
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2.01E+5n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156293
PNG
(CHEMBL3781916)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50156293
PNG
(CHEMBL3781916)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-
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n/an/a 8.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50156293
PNG
(CHEMBL3781916)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50156293
PNG
(CHEMBL3781916)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-
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n/an/a 6.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156300
PNG
(CHEMBL3781634)
Show SMILES COc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C18H18N6O/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)
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n/an/a 91n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156299
PNG
(CHEMBL3780762)
Show SMILES C(C1CC1)c1nc(NC2CCOCC2)ncc1-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H25N7O/c1-2-15(1)13-20-18(14-25-22(29-20)27-17-6-11-30-12-7-17)19-5-10-24-21(28-19)26-16-3-8-23-9-4-16/h3-5,8-10,14-15,17H,1-2,6-7,11-13H2,(H,25,27,29)(H,23,24,26,28)
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n/an/a 240n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156298
PNG
(CHEMBL3781926)
Show SMILES CC(C)(C)Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7/c1-21(2,3)28-20-24-13-16(18(27-20)12-14-4-5-14)17-8-11-23-19(26-17)25-15-6-9-22-10-7-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,27,28)(H,22,23,25,26)
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n/an/a 35n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156297
PNG
(CHEMBL3780339)
Show SMILES CC(C)(C)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H27N7/c1-22(2,3)14-26-20-25-13-17(19(29-20)12-15-4-5-15)18-8-11-24-21(28-18)27-16-6-9-23-10-7-16/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,26,29)(H,23,24,27,28)
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n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156296
PNG
(CHEMBL3781466)
Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156295
PNG
(CHEMBL3781615)
Show SMILES C(Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1)c1ccccc1
Show InChI InChI=1S/C24H23N7/c1-2-4-18(5-3-1)15-27-23-28-16-20(22(31-23)14-17-6-7-17)21-10-13-26-24(30-21)29-19-8-11-25-12-9-19/h1-5,8-13,16-17H,6-7,14-15H2,(H,27,28,31)(H,25,26,29,30)
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n/an/a 76n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156294
PNG
(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156299
PNG
(CHEMBL3780762)
Show SMILES C(C1CC1)c1nc(NC2CCOCC2)ncc1-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H25N7O/c1-2-15(1)13-20-18(14-25-22(29-20)27-17-6-11-30-12-7-17)19-5-10-24-21(28-19)26-16-3-8-23-9-4-16/h3-5,8-10,14-15,17H,1-2,6-7,11-13H2,(H,25,27,29)(H,23,24,26,28)
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n/an/a 270n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156296
PNG
(CHEMBL3781466)
Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156294
PNG
(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156293
PNG
(CHEMBL3781916)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50156294
PNG
(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


J Med Chem 60: 47-65 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156294
PNG
(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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n/an/a 18n/an/an/an/an/an/a



Curtin University

Curated by ChEMBL


Assay Description
Inhibition of Vps34 (unknown origin)


J Med Chem 60: 47-65 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calpain1/2


(Homo sapiens (Human))
BDBM50223715
PNG
(CHEMBL3706732)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C23H27N3O4S/c1-13(2)11-18(22(28)25-16-9-10-30-23(16)29)26-21(27)14-7-8-20-17(12-14)24-15-5-3-4-6-19(15)31-20/h3-8,12-13,16,18,23-24,29H,9-11H2,1-2H3,(H,25,28)(H,26,27)/t16-,18-,23?/m0/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against on calpain 1 in C6 glial cells


Bioorg Med Chem Lett 14: 3825-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156300
PNG
(CHEMBL3781634)
Show SMILES COc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C18H18N6O/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156299
PNG
(CHEMBL3780762)
Show SMILES C(C1CC1)c1nc(NC2CCOCC2)ncc1-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H25N7O/c1-2-15(1)13-20-18(14-25-22(29-20)27-17-6-11-30-12-7-17)19-5-10-24-21(28-19)26-16-3-8-23-9-4-16/h3-5,8-10,14-15,17H,1-2,6-7,11-13H2,(H,25,27,29)(H,23,24,26,28)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156298
PNG
(CHEMBL3781926)
Show SMILES CC(C)(C)Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7/c1-21(2,3)28-20-24-13-16(18(27-20)12-14-4-5-14)17-8-11-23-19(26-17)25-15-6-9-22-10-7-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,27,28)(H,22,23,25,26)
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n/an/a 740n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156297
PNG
(CHEMBL3780339)
Show SMILES CC(C)(C)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C22H27N7/c1-22(2,3)14-26-20-25-13-17(19(29-20)12-15-4-5-15)18-8-11-24-21(28-18)27-16-6-9-23-10-7-16/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,26,29)(H,23,24,27,28)
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n/an/a 500n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156296
PNG
(CHEMBL3781466)
Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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n/an/a 820n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156295
PNG
(CHEMBL3781615)
Show SMILES C(Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1)c1ccccc1
Show InChI InChI=1S/C24H23N7/c1-2-4-18(5-3-1)15-27-23-28-16-20(22(31-23)14-17-6-7-17)21-10-13-26-24(30-21)29-19-8-11-25-12-9-19/h1-5,8-13,16-17H,6-7,14-15H2,(H,27,28,31)(H,25,26,29,30)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50156294
PNG
(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50156293
PNG
(CHEMBL3781916)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1
Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-
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n/an/a 3.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI4Kbeta (unknown origin)


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50223715
PNG
(CHEMBL3706732)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C23H27N3O4S/c1-13(2)11-18(22(28)25-16-9-10-30-23(16)29)26-21(27)14-7-8-20-17(12-14)24-15-5-3-4-6-19(15)31-20/h3-8,12-13,16,18,23-24,29H,9-11H2,1-2H3,(H,25,28)(H,26,27)/t16-,18-,23?/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory activity against on human calpain 1


Bioorg Med Chem Lett 14: 3825-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50156281
PNG
(CHEMBL3780743)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-14-10-11-20-12-17(14)16-8-5-9-19-18(16)13-21-22(19)15-6-3-2-4-7-15/h2-13H,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...


ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50156281
PNG
(CHEMBL3780743)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-14-10-11-20-12-17(14)16-8-5-9-19-18(16)13-21-22(19)15-6-3-2-4-7-15/h2-13H,1H3
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n/an/a 119n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair