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Compile Data Set for Download or QSAR

Found 375 hits with Last Name = 'stefanski' and Initial = 'k'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239718
PNG
(CHEMBL4064666 | US10214537, Example 639)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
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n/an/a<0.100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232438
PNG
(CHEMBL4100063 | US10214537, Example 256)
Show SMILES CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284821
PNG
(1-((cis)-4-(5-(4-amino-5-(1-(tetrahydro-2H-pyran-4...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122323
PNG
(CHEMBL3622146)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)N1CCS(=O)(=O)CC1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C27H32N8O4S2/c1-4-34-19(25(36)35(16-5-6-16)17-7-8-17)13-18-21-20(28-14-32(21)3)23(30-24(18)34)31-27-29-15(2)22(40-27)26(37)33-9-11-41(38,39)12-10-33/h13-14,16-17H,4-12H2,1-3H3,(H,29,30,31)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50168472
PNG
(CHEMBL3805348 | US9765060, Compound X)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/s2
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232455
PNG
(CHEMBL4097699 | US10214537, Example 244)
Show SMILES CC(=O)N1CCN(C(C1)C(F)(F)F)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284872
PNG
(7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232457
PNG
(CHEMBL4091002 | US10214537, Example 225)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232439
PNG
(CHEMBL4079663 | US10214537, Example 291)
Show SMILES CC(=O)N1CCN(C(C1)c1ccccc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122326
PNG
(CHEMBL3622143)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)C(=O)NC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-18-17(26-11-30(18)4)20(28-21(15)31)29-24-27-12(2)19(35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232456
PNG
(CHEMBL4090888 | US10214537, Example 289)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCN(CC1)C1COC1
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28030
PNG
(2-aminopyridine analogue, 9 | N-{4-[(2-amino-3-chl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
Show InChI InChI=1S/C23H15ClF2N4O3/c24-20-19(9-10-28-21(20)27)33-18-8-5-14(12-17(18)26)29-22(31)16-2-1-11-30(23(16)32)15-6-3-13(25)4-7-15/h1-12H,(H2,27,28)(H,29,31)
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n/an/a 1n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239736
PNG
(CHEMBL4074315 | US10214537, Example 637)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28028
PNG
(2-aminopyridine analogue, 7 | N-{4-[(2-amino-3-eth...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#C
Show InChI InChI=1S/C25H16F2N4O3/c1-2-18-21(11-12-29-23(18)28)34-22-10-7-16(14-20(22)27)30-24(32)19-4-3-13-31(25(19)33)17-8-5-15(26)6-9-17/h1,3-14H,(H2,28,29)(H,30,32)
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Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239752
PNG
(CHEMBL4067315 | US10214537, Example 585)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(Cl)c2c(N)ncnn12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239744
PNG
(CHEMBL4071965 | US10214537, Example 643)
Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232452
PNG
(CHEMBL4070023 | US10214537, Example 229)
Show SMILES COc1cc(cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N1[C@@H](C)CN(C[C@H]1C)C(C)=O |r|
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232434
PNG
(CHEMBL4091410 | US10214537, Example 252)
Show SMILES CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50232430
PNG
(CHEMBL4061855 | US10214537, Example 262)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232437
PNG
(CHEMBL4073217 | US10214537, Example 260)
Show SMILES CC(=O)N1CCN(C(C1)c1ccc(Cl)cc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239741
PNG
(CHEMBL4095752)
Show SMILES C[C@@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239723
PNG
(CHEMBL4074193 | US10214537, Example 478)
Show SMILES CC(C)c1nnc(o1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122324
PNG
(CHEMBL3622145)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)c(s1)S(C)(=O)=O)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-5-29-16(21(31)30(13-6-7-13)14-8-9-14)10-15-18-17(24-11-28(18)3)19(26-20(15)29)27-23-25-12(2)22(34-23)35(4,32)33/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239746
PNG
(CHEMBL4094693)
Show SMILES CC(C)c1cc(on1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122327
PNG
(CHEMBL3622142)
Show SMILES CCc1nc(Nc2nc3n(CC)c(cc3c3n(C)cnc23)C(=O)N(C2CC2)C2CC2)sc1C
Show InChI InChI=1S/C24H29N7OS/c1-5-17-13(3)33-24(26-17)28-21-19-20(29(4)12-25-19)16-11-18(30(6-2)22(16)27-21)23(32)31(14-7-8-14)15-9-10-15/h11-12,14-15H,5-10H2,1-4H3,(H,26,27,28)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232436
PNG
(CHEMBL4083625 | US10214537, Example 246)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122321
PNG
(CHEMBL3622148)
Show SMILES CCn1nc(Nc2nc3n(CC)c(cc3c3n(C)cnc23)C(=O)N(C2CC2)C2CC2)cc1C
Show InChI InChI=1S/C24H30N8O/c1-5-30-18(24(33)32(15-7-8-15)16-9-10-16)12-17-21-20(25-13-29(21)4)22(27-23(17)30)26-19-11-14(3)31(6-2)28-19/h11-13,15-16H,5-10H2,1-4H3,(H,26,27,28)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232451
PNG
(CHEMBL4064155 | US10214537, Example 267)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO |r|
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239734
PNG
(CHEMBL4097222 | US10214537, Example 628)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1Cl)-c1cc(Cl)c2c(N)ncnn12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239716
PNG
(CHEMBL4078237 | US10214537, Example 587)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)(F)F)-c1cc(Cl)c2c(N)ncnn12
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL




J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239718
PNG
(CHEMBL4064666 | US10214537, Example 639)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239743
PNG
(CHEMBL4083358 | US10214537, Example 644)
Show SMILES C[C@@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232440
PNG
(CHEMBL4083101 | US10214537, Example 618)
Show SMILES C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284871
PNG
(7-(2-(piperazin-1-yl)pyridin-4-yl)-5- (1-(tetrahyd...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCNCC1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24440
PNG
(2-pyridone analogue, 2 | JMC521251 Compound 1 | N-...)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
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n/an/a 1.80n/an/an/an/a7.530



Bristol-Myers Squibb Company



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...


J Med Chem 52: 1251-4 (2009)


Article DOI: 10.1021/jm801586s
BindingDB Entry DOI: 10.7270/Q20863MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239715
PNG
(CHEMBL4087215 | US10214537, Example 349)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12
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Bristol-Myers Squibb Company

Curated by ChEMBL




J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239737
PNG
(CHEMBL4094814 | US10214537, Example 573)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)(F)F)-c1cc(c2c(N)ncnn12)C(F)(F)F
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239739
PNG
(CHEMBL4073255 | US10214537, Example 629)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50299143
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES O=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C20H21N9OS/c30-18(24-20-21-7-10-31-20)15-4-1-8-28(15)19-23-17(14-3-2-9-29(14)27-19)22-16-11-13(25-26-16)12-5-6-12/h2-3,7,9-12,15H,1,4-6,8H2,(H,21,24,30)(H2,22,23,25,26,27)/t15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239730
PNG
(CHEMBL4093883 | US10214537, Example 550)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(I)c2c(N)ncnn12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232445
PNG
(CHEMBL4062954 | US10214537, Example 290)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
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Bristol-Myers Squibb

Curated by ChEMBL




Bioorg Med Chem Lett 27: 855-861 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239728
PNG
(CHEMBL4081766 | US10214537, Example 328)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
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Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50299138
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES NC(=O)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r|
Show InChI InChI=1S/C17H20N8O/c18-15(26)12-3-1-7-24(12)17-20-16(13-4-2-8-25(13)23-17)19-14-9-11(21-22-14)10-5-6-10/h2,4,8-10,12H,1,3,5-7H2,(H2,18,26)(H2,19,20,21,22,23)/t12-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E after 60 mins by fluorescence electrophoresis


J Med Chem 52: 7360-3 (2009)


Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022
More data for this
Ligand-Target Pair
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