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Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'burkhart' and Initial = 'c'   
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
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015711
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole-5-ca...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015714
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indol-5-ol ...)
Show SMILES Oc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015712
PNG
(5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Fc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533774
PNG
(CHEMBL4469006)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H25N5O2/c1-20(36)34-11-13-35(14-12-34)30(37)24-7-4-6-23(16-24)29-26-17-21(9-10-28(26)32-19-33-29)25-15-22-5-2-3-8-27(22)31-18-25/h2-10,15-19H,11-14H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]-5-HT as the radioligand


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015709
PNG
(5-Bromo-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES Brc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015718
PNG
(5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
Show InChI InChI=1S/C13H13N3O2/c17-16(18)10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-15H,4-6H2
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT as the radioligand.


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM118300
PNG
(US8653092, 68)
Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
Show InChI InChI=1S/C24H29F3N6O3/c1-35-22-19(24(25,26)27)10-17(11-28-22)32-7-3-20-18(13-32)21(30-14-29-20)31-16-2-6-33(12-16)23(34)15-4-8-36-9-5-15/h10-11,14-16H,2-9,12-13H2,1H3,(H,29,30,31)/t16-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins by Alexa Fluor647-labelled ADP tracer based ...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533772
PNG
(CHEMBL4521888)
Show SMILES COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24F3N5O3/c1-17(37)35-8-10-36(11-9-35)27(38)20-5-3-4-19(12-20)25-22-13-18(6-7-24(22)33-16-34-25)21-14-23(28(29,30)31)26(39-2)32-15-21/h3-7,12-16H,8-11H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203680
PNG
(CHEMBL3960012)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r|
Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT as the radioligand.


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counting


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203699
PNG
(CHEMBL3977066)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203699
PNG
(CHEMBL3977066)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533778
PNG
(CHEMBL4453497)
Show SMILES COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H24F3N5O2/c1-34-8-10-35(11-9-34)26(36)19-5-3-4-18(12-19)24-21-13-17(6-7-23(21)32-16-33-24)20-14-22(27(28,29)30)25(37-2)31-15-20/h3-7,12-16H,8-11H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203699
PNG
(CHEMBL3977066)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins by Alexa Fluor647-labelled ADP tracer based ...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203701
PNG
(CHEMBL3944013)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203696
PNG
(CHEMBL3896413)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-9-8-16(12-25)28-21-17-10-14(4-6-18(17)23-13-24-21)15-5-7-19(27-2)22-11-15/h4-7,10-11,13,16H,3,8-9,12H2,1-2H3/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM118299
PNG
(US8653092, 67)
Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated mouse CD4-positive T cells assessed as reduction in T cell differentiation to Th2 cells by measur...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203698
PNG
(CHEMBL3930000)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C25H29N3O5/c1-25(2,3)33-24(29)28-11-10-18(14-28)32-23-19-12-16(6-8-20(19)26-15-27-23)17-7-9-21(30-4)22(13-17)31-5/h6-9,12-13,15,18H,10-11,14H2,1-5H3/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533778
PNG
(CHEMBL4453497)
Show SMILES COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C27H24F3N5O2/c1-34-8-10-35(11-9-34)26(36)19-5-3-4-18(12-19)24-21-13-17(6-7-23(21)32-16-33-24)20-14-22(27(28,29)30)25(37-2)31-15-20/h3-7,12-16H,8-11H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50203699
PNG
(CHEMBL3977066)
Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse in rat B cells assessed as reduction in anti-IgM induced proliferation measured over last 16 hrs of 88 hrs by...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM118299
PNG
(US8653092, 67)
Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins by Alexa Fluor647-labelled ADP tracer based ...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203678
PNG
(CHEMBL3905342)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(cc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C22H23N3O3/c1-3-22(26)25-11-9-17(14-25)28-20-8-10-23-19-6-4-15(12-18(19)20)16-5-7-21(27-2)24-13-16/h4-8,10,12-13,17H,3,9,11,14H2,1-2H3/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015709
PNG
(5-Bromo-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES Brc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533772
PNG
(CHEMBL4521888)
Show SMILES COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C28H24F3N5O3/c1-17(37)35-8-10-36(11-9-35)27(38)20-5-3-4-19(12-20)25-22-13-18(6-7-24(22)33-16-34-25)21-14-23(28(29,30)31)26(39-2)32-15-21/h3-7,12-16H,8-11H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203701
PNG
(CHEMBL3944013)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533775
PNG
(CHEMBL4588314)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C28H28N4O3/c1-31-11-13-32(14-12-31)28(33)22-6-4-5-21(15-22)27-23-16-19(7-9-24(23)29-18-30-27)20-8-10-25(34-2)26(17-20)35-3/h4-10,15-18H,11-14H2,1-3H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203685
PNG
(CHEMBL3966263)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C23H25N3O4/c1-4-23(27)26-10-9-17(14-26)30-22-13-24-18-7-5-15(11-19(18)25-22)16-6-8-20(28-2)21(12-16)29-3/h5-8,11-13,17H,4,9-10,14H2,1-3H3/t17-/m1/s1
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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 PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM118300
PNG
(US8653092, 68)
Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
Show InChI InChI=1S/C24H29F3N6O3/c1-35-22-19(24(25,26)27)10-17(11-28-22)32-7-3-20-18(13-32)21(30-14-29-20)31-16-2-6-33(12-16)23(34)15-4-8-36-9-5-15/h10-11,14-16H,2-9,12-13H2,1H3,(H,29,30,31)/t16-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes assessed as reduction in anti-IgM stimulated CD86 expression pretreated for 1 hr followed by anti...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM84737
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1,4-dihydro-py...)
Show SMILES O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8|
Show InChI InChI=1S/C12H11N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203697
PNG
(CHEMBL3969716)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-14(26)25-9-8-17(12-25)29-22-18-10-15(4-6-19(18)23-13-24-22)16-5-7-20(27-2)21(11-16)28-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo lu...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533775
PNG
(CHEMBL4588314)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C28H28N4O3/c1-31-11-13-32(14-12-31)28(33)22-6-4-5-21(15-22)27-23-16-19(7-9-24(23)29-18-30-27)20-8-10-25(34-2)26(17-20)35-3/h4-10,15-18H,11-14H2,1-3H3
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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 human PI3Kdelta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM81497
PNG
(4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrr...)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50533776
PNG
(CHEMBL4581278)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C26H25N5O2/c1-30-10-12-31(13-11-30)26(32)20-5-3-4-19(14-20)25-22-15-18(6-8-23(22)28-17-29-25)21-7-9-24(33-2)27-16-21/h3-9,14-17H,10-13H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM118313
PNG
(US8653092, 81)
Show SMILES CCC(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(C)c1 |r|
Show InChI InChI=1S/C21H28N6O2/c1-4-19(28)27-7-5-15(11-27)25-20-17-12-26(8-6-18(17)23-13-24-20)16-9-14(2)21(29-3)22-10-16/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,23,24,25)/t15-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins by Alexa Fluor647-labelled ADP tracer based ...


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203682
PNG
(CHEMBL3947814)
Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-18(33)31-10-12-32(13-11-31)27(34)21-5-3-4-20(14-21)26-23-15-19(6-8-24(23)29-17-30-26)22-7-9-25(35-2)28-16-22/h3-9,14-17H,10-13H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50203677
PNG
(CHEMBL3977135)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(nc12)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-11-9-15(13-25)28-18-8-10-22-17-6-5-16(24-21(17)18)14-4-7-19(27-2)23-12-14/h4-8,10,12,15H,3,9,11,13H2,1-2H3/t15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay


Bioorg Med Chem Lett 26: 5657-5662 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.069
BindingDB Entry DOI: 10.7270/Q20Z7574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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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 PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50533775
PNG
(CHEMBL4588314)
Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C28H28N4O3/c1-31-11-13-32(14-12-31)28(33)22-6-4-5-21(15-22)27-23-16-19(7-9-24(23)29-18-30-27)20-8-10-25(34-2)26(17-20)35-3/h4-10,15-18H,11-14H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse B cells assessed as reduction in anti-IgM induced CD86 expression preincubated for 1 hr followed by anti-IgM ...


ACS Med Chem Lett 7: 762-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00119
BindingDB Entry DOI: 10.7270/Q2V98CKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM118295
PNG
(US8653092, 63)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H24F3N5O3/c1-3-18(30)29-6-4-14(10-29)32-19-15-11-28(7-5-17(15)26-12-27-19)13-8-16(21(22,23)24)20(31-2)25-9-13/h8-9,12,14H,3-7,10-11H2,1-2H3/t14-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


ACS Med Chem Lett 8: 975-980 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00293
BindingDB Entry DOI: 10.7270/Q2SX6GR0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50007406
PNG
(1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
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n/an/a 27n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
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