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Compile Data Set for Download or QSAR

Found 545 hits with Last Name = 'sleczka' and Initial = 'b'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239606
PNG
(CHEMBL4080667)
Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)|
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3.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50202086
PNG
(CHEMBL219142 | N-[(E)-5-hydroxy-2-adamantyl]-2-{4-...)
Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:30:6.5.7,4:5:2.3.29:30,THB:7:5:2:29.28.30,7:28:2:6.4.5,8:7:2.3.29:30,(1.8,-8.48,;3.15,-9.25,;1.93,-10.52,;3.44,-10.11,;4.84,-10.69,;5.87,-9.43,;4.47,-9.76,;5.9,-7.9,;7.19,-7.07,;8.56,-7.77,;8.64,-9.31,;9.85,-6.93,;11.23,-7.63,;11.25,-9.18,;12.59,-9.92,;13.92,-9.13,;13.88,-7.59,;12.53,-6.84,;15.23,-9.92,;15.2,-11.46,;16.52,-12.26,;17.87,-11.51,;17.89,-9.96,;16.57,-9.18,;19.19,-12.31,;20.51,-13.07,;18.4,-13.63,;19.98,-10.98,;4.51,-7.31,;3.45,-8.53,;3.16,-7.77,)|
Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-15-7-14-8-16(20)11-21(31,9-14)10-15/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)/t14?,15?,16?,20-,21-
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
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<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
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239610
PNG
(CHEMBL4073961)
Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CCCC2)C2CC3CC(C2)CC1C3 |TLB:24:23:21:17.18.19,8:7:17.24.18:22.20.21,4:7:21:17.18.19,THB:24:18:7.23.22:21,19:18:7:22.20.21,19:20:7:17.24.18,8:7:21:17.18.19,4:7:17.24.18:22.20.21,(23.94,-24.95,;23.96,-23.41,;22.63,-22.62,;22.65,-21.09,;23.99,-20.34,;25.31,-21.11,;25.3,-22.64,;24.01,-18.8,;22.86,-17.77,;21.4,-18.25,;20.15,-17.34,;20.92,-19.71,;19.45,-20.18,;19.45,-21.72,;20.91,-22.2,;21.82,-20.95,;25.21,-17.53,;26.53,-18.01,;27.92,-17.67,;27.94,-16.14,;26.54,-15.56,;25.2,-16.04,;25.5,-16.8,;25.5,-18.39,;26.91,-18.95,)|
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
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 0.5n/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
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239632
PNG
(CHEMBL4071232)
Show SMILES OCC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:18:17:15:11.12.13,8:9:11.18.12:16.14.15,19:9:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,19:9:11.18.12:16.14.15,(48.51,-12.14,;50.02,-11.82,;50.49,-10.36,;49.8,-8.98,;51.18,-8.28,;51.87,-9.66,;51.66,-6.82,;50.41,-5.91,;53.13,-6.34,;54.27,-7.37,;55.47,-6.1,;56.79,-6.59,;58.18,-6.24,;58.2,-4.71,;56.8,-4.13,;55.46,-4.61,;55.76,-5.37,;55.77,-6.96,;57.18,-7.52,;54.26,-8.91,;52.91,-9.66,;52.9,-11.19,;54.22,-11.98,;54.21,-13.52,;55.57,-11.21,;55.58,-9.68,)|
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
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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n/an/a 0.700n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239628
PNG
(CHEMBL4102283)
Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)C3O)c1ccc(cc1)-c1ccc(F)cc1 |TLB:12:11:8.13.14:16,7:8:16:10.11.17,19:8:10.12.11:14.15.16,THB:18:17:8.13.14:16,12:13:16:10.11.17,17:11:8:14.15.16,17:15:8:10.12.11,7:8:10.12.11:14.15.16,19:8:16:10.11.17,(5.77,-1.2,;6.92,-2.24,;8.46,-2.16,;8.53,-3.7,;7,-3.78,;9.68,-4.73,;9.36,-6.24,;11.15,-4.26,;12.29,-5.3,;13.49,-4.02,;14.82,-4.5,;16.22,-4.16,;15.2,-5.44,;13.79,-4.87,;13.78,-3.28,;14.83,-2.05,;13.48,-2.53,;16.23,-2.63,;17.52,-1.78,;12.27,-6.84,;10.94,-7.58,;10.92,-9.12,;12.24,-9.91,;13.59,-9.14,;13.6,-7.61,;12.23,-11.45,;10.89,-12.21,;10.87,-13.75,;12.2,-14.54,;12.19,-16.08,;13.55,-13.77,;13.56,-12.23,)|
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
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))
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
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239619
PNG
(CHEMBL4087497)
Show SMILES COC12CC3CC(C1)C(CC(=O)N1CC(O)C1)(C(C3)C2)c1ccc(F)cc1 |TLB:18:17:7:5.4.3,20:8:5.18.4:19.2.7,20:8:7:5.4.3,THB:18:4:8.17.19:7,3:4:8:19.2.7,3:2:8:5.18.4,1:2:8:5.18.4,9:8:5.18.4:19.2.7,9:8:7:5.4.3,(28.8,-17.02,;27.27,-17.21,;26.66,-18.63,;28.07,-19.21,;28.05,-20.74,;26.65,-21.08,;25.33,-20.59,;25.32,-19.11,;24.13,-21.87,;22.99,-20.84,;21.52,-21.31,;20.27,-20.4,;21.04,-22.78,;19.66,-23.47,;20.36,-24.85,;19.88,-26.32,;21.74,-24.15,;25.63,-21.45,;27.04,-22.02,;25.62,-19.86,;24.12,-23.41,;22.77,-24.16,;22.76,-25.7,;24.08,-26.48,;24.07,-28.02,;25.43,-25.72,;25.44,-24.18,)|
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 0.900n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239603
PNG
(CHEMBL4101370)
Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)C3O)c1ccc(cc1)-c1ccncc1 |TLB:12:11:8.13.14:16,7:8:16:10.11.17,19:8:10.12.11:14.15.16,THB:18:17:8.13.14:16,12:13:16:10.11.17,17:11:8:14.15.16,17:15:8:10.12.11,7:8:10.12.11:14.15.16,19:8:16:10.11.17,(5.99,-16.91,;7.14,-17.94,;8.68,-17.86,;8.76,-19.41,;7.22,-19.48,;9.9,-20.44,;9.58,-21.95,;11.37,-19.97,;12.51,-21,;13.72,-19.72,;15.04,-20.22,;16.44,-19.87,;15.43,-21.14,;14.01,-20.58,;14.01,-18.99,;15.05,-17.75,;13.71,-18.23,;16.46,-18.34,;17.75,-17.49,;12.5,-22.54,;11.16,-23.3,;11.14,-24.83,;12.46,-25.61,;13.81,-24.85,;13.82,-23.32,;12.45,-27.16,;11.11,-27.92,;11.09,-29.46,;12.42,-30.24,;13.77,-29.48,;13.78,-27.94,)|
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes


J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239609
PNG
(CHEMBL4093016)
Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CCC2)C2CC3CC(C2)CC1C3 |TLB:23:22:20:16.17.18,8:7:16.23.17:21.19.20,4:7:20:16.17.18,THB:23:17:7.22.21:20,18:17:7:21.19.20,18:19:7:16.23.17,8:7:20:16.17.18,4:7:16.23.17:21.19.20,(23.9,-12.85,;23.91,-11.3,;22.58,-10.52,;22.6,-8.98,;23.94,-8.23,;25.26,-9,;25.25,-10.54,;23.96,-6.69,;22.81,-5.65,;21.34,-6.13,;20.1,-5.22,;20.86,-7.6,;19.48,-8.3,;20.18,-9.68,;21.56,-8.98,;25.16,-5.41,;26.48,-5.9,;27.88,-5.55,;27.9,-4.02,;26.49,-3.44,;25.15,-3.92,;25.45,-4.68,;25.46,-6.27,;26.87,-6.84,)|
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239616
PNG
(CHEMBL4078671)
Show SMILES COC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:18:17:15:11.12.13,8:9:11.18.12:16.14.15,19:9:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,19:9:11.18.12:16.14.15,(63.87,-11.5,;65.38,-11.19,;65.86,-9.72,;65.16,-8.35,;66.55,-7.65,;67.23,-9.02,;67.02,-6.18,;65.77,-5.27,;68.49,-5.7,;69.64,-6.74,;70.83,-5.46,;72.15,-5.95,;73.55,-5.61,;73.57,-4.08,;72.16,-3.5,;70.82,-3.98,;71.13,-4.74,;71.13,-6.32,;72.54,-6.88,;69.62,-8.28,;68.28,-9.02,;68.26,-10.56,;69.59,-11.34,;69.57,-12.89,;70.92,-10.58,;70.93,-9.05,)|
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239614
PNG
(CHEMBL4067777)
Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:17:16:14:10.11.12,7:8:10.17.11:15.13.14,18:8:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12,18:8:10.17.11:15.13.14,(49.46,-25.67,;49.94,-24.2,;49.24,-22.82,;50.62,-22.13,;51.32,-23.5,;51.1,-20.66,;49.85,-19.75,;52.57,-20.18,;53.71,-21.22,;54.91,-19.94,;56.23,-20.43,;57.63,-20.08,;57.65,-18.55,;56.24,-17.97,;54.9,-18.45,;55.2,-19.21,;55.21,-20.8,;56.62,-21.36,;53.69,-22.76,;52.35,-23.51,;52.33,-25.04,;53.66,-25.83,;53.65,-27.37,;55.01,-25.06,;55.01,-23.53,)|
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Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
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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n/an/a 1n/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
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)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50306431
PNG
(2-[(3R)-1'-[(adamantan-2-yl)carbamoyl]-7-bromo-2,3...)
Show InChI InChI=1S/C26H33BrN2O3/c27-21-3-1-2-20-19(13-22(30)31)14-26(23(20)21)4-6-29(7-5-26)25(32)28-24-17-9-15-8-16(11-17)12-18(24)10-15/h1-3,15-19,24H,4-14H2,(H,28,32)(H,30,31)/t15?,16?,17?,18?,19-,24?/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair
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
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
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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n/an/a 1.20n/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
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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n/an/a 1.30n/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 dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
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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n/an/a 1.40n/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
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
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
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
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))
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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n/an/a 1.5n/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 dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
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
PDB
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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
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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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
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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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
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
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
PDB
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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
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
PDB
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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
More data for this
Ligand-Target Pair
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356439
PNG
(CHEMBL1911707)
Show SMILES Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H10ClFN2OS/c18-15-4-2-1-3-10(15)9-23-17-13-7-11(19)5-6-12(13)14(8-20)16(22)21-17/h1-7H,9H2,(H,21,22)
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Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader


Bioorg Med Chem Lett 21: 6693-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.058
BindingDB Entry DOI: 10.7270/Q2FN16M4
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239621
PNG
(CHEMBL4060170)
Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C3)(C2)C#N)c1ccc(F)cc1 |TLB:17:15:8.9.10:12,7:8:14.17.15:10.11.12,7:8:12:14.15.16,THB:17:9:12:14.15.16,16:15:8:10.11.12,16:11:8:14.17.15,18:15:8:10.11.12,18:15:8.9.10:12,20:8:14.17.15:10.11.12,20:8:12:14.15.16,(34.25,-39.18,;34.73,-37.71,;34.04,-36.34,;35.41,-35.64,;36.11,-37.02,;35.89,-34.17,;34.64,-33.26,;37.36,-33.7,;38.51,-34.73,;40,-34.31,;40,-32.72,;41.04,-31.49,;39.7,-31.97,;39.71,-33.45,;41.03,-33.94,;42.43,-33.6,;42.45,-32.07,;41.42,-34.88,;43.96,-33.54,;45.5,-33.47,;38.49,-36.27,;37.15,-37.02,;37.13,-38.56,;38.46,-39.34,;38.44,-40.89,;39.8,-38.58,;39.81,-37.05,)|
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239633
PNG
(CHEMBL4102950)
Show SMILES OC1CN(C1)C(=O)CC1(C2CC3CC1CC(F)(C3)C2)c1ccc(F)cc1 |TLB:12:13:18:10.11.17,12:11:8.13.14:18,19:8:10.12.11:14.15.18,19:8:18:10.11.17,THB:17:11:8:14.15.18,17:15:8:10.12.11,16:15:8:10.12.11,7:8:10.12.11:14.15.18,7:8:18:10.11.17,(64.54,-24.64,;65.02,-23.17,;64.31,-21.79,;65.69,-21.1,;66.39,-22.47,;66.18,-19.63,;64.92,-18.71,;67.65,-19.16,;68.79,-20.18,;69.99,-18.91,;71.31,-19.4,;72.71,-19.06,;71.7,-20.34,;70.29,-19.77,;70.28,-18.18,;71.32,-16.94,;71.93,-15.52,;72.73,-17.52,;69.98,-17.42,;68.77,-21.72,;67.43,-22.48,;67.41,-24.02,;68.74,-24.8,;68.72,-26.34,;70.08,-24.04,;70.09,-22.5,)|
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
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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n/an/a 2n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50445576
PNG
(CHEMBL3103439)
Show SMILES COC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:16:15:7:5.4.3,18:8:5.16.4:17.2.7,18:8:7:5.4.3,1:2:8:5.16.4,THB:16:4:8.15.17:7,3:4:8:17.2.7,3:2:8:5.16.4,9:8:5.16.4:17.2.7,9:8:7:5.4.3,(54.65,3.84,;53.31,3.05,;53.32,1.51,;54.73,.93,;54.71,-.61,;53.31,-.96,;51.99,-.47,;51.98,1.02,;50.79,-1.75,;49.45,-.95,;48.1,-1.7,;46.61,-1.27,;45.75,-2.55,;46.71,-3.77,;48.16,-3.24,;52.29,-1.33,;53.7,-1.89,;52.28,.27,;50.78,-3.28,;49.44,-4.04,;49.43,-5.57,;50.76,-6.35,;52.1,-5.58,;52.1,-4.05,;50.75,-7.89,;49.41,-8.66,;49.4,-10.2,;50.73,-10.98,;52.08,-10.2,;52.08,-8.66,)|
Show InChI InChI=1S/C25H28N4O/c1-30-24-13-17-11-21(14-24)25(22(12-17)15-24,16-23-26-28-29-27-23)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,17,21-22H,11-16H2,1H3,(H,26,27,28,29)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 24: 654-60 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50445575
PNG
(CHEMBL3103523)
Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(34.73,-27.29,;33.44,-28.14,;33.42,-29.67,;32.02,-30.02,;30.7,-29.53,;30.69,-28.04,;32.04,-27.56,;30.99,-28.8,;31,-30.39,;32.42,-30.95,;29.5,-30.81,;28.16,-30.01,;26.81,-30.76,;25.32,-30.33,;24.46,-31.61,;25.42,-32.83,;26.87,-32.3,;29.49,-32.35,;28.15,-33.1,;28.14,-34.64,;29.47,-35.42,;30.81,-34.65,;30.81,-33.11,;29.46,-36.96,;28.12,-37.72,;28.11,-39.26,;29.44,-40.04,;30.79,-39.27,;30.79,-37.73,;32.13,-36.96,)|
Show InChI InChI=1S/C24H25FN4O/c25-21-4-2-1-3-20(21)14-5-7-17(8-6-14)24(13-22-26-28-29-27-22)18-9-15-10-19(24)12-16(11-18)23(15)30/h1-8,15-16,18-19,23,30H,9-13H2,(H,26,27,28,29)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 24: 654-60 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF
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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n/an/a 2n/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 dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
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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n/an/a 2n/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 dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50239615
PNG
(CHEMBL4095204)
Show SMILES Fc1ccc(cc1)C1(CC(=O)N2CC(C2)C#N)C2CC3CC(C2)CC1C3 |TLB:25:24:22:18.19.20,8:7:18.25.19:23.21.22,4:7:22:18.19.20,THB:25:19:7.24.23:22,20:19:7:23.21.22,20:21:7:18.25.19,8:7:22:18.19.20,4:7:18.25.19:23.21.22,(54.09,-42.35,;54.11,-40.81,;52.78,-40.02,;52.8,-38.49,;54.14,-37.74,;55.46,-38.51,;55.45,-40.04,;54.16,-36.2,;53.02,-35.16,;51.55,-35.64,;50.3,-34.73,;51.06,-37.11,;49.69,-37.8,;50.39,-39.18,;51.77,-38.48,;49.91,-40.65,;49.43,-42.11,;55.36,-34.92,;56.68,-35.41,;58.08,-35.06,;58.1,-33.53,;56.69,-32.96,;55.35,-33.43,;55.65,-34.19,;55.65,-35.78,;57.07,-36.34,)|
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Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 4932-4948 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00211
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239748
PNG
(CHEMBL4066316 | US10214537, Example 548)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Br)c2c(N)ncnn12
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n/an/a 2.10n/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 dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


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


(Homo sapiens (Human))
BDBM50239733
PNG
(CHEMBL4070029 | US10214537, Example 594)
Show SMILES COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
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n/an/a 2.20n/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
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50356334
PNG
(CHEMBL1911415)
Show SMILES OC(=O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(25.04,-5.78,;26.38,-6.56,;27.72,-5.79,;26.37,-8.11,;27.72,-8.89,;26.98,-10.25,;25.43,-10.28,;24.69,-11.63,;23.15,-11.66,;22.41,-13.01,;23.21,-14.33,;24.76,-14.29,;25.49,-12.94,;28.93,-7.61,;30.27,-8.1,;31.67,-7.75,;31.68,-6.21,;30.28,-5.63,;28.92,-6.11,;29.23,-6.87,;29.24,-8.47,;30.65,-9.04,)|
Show InChI InChI=1S/C20H26O2/c21-19(22)13-20(7-6-14-4-2-1-3-5-14)17-9-15-8-16(11-17)12-18(20)10-15/h1-5,15-18H,6-13H2,(H,21,22)
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n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD-1


Bioorg Med Chem Lett 21: 6699-704 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.055
BindingDB Entry DOI: 10.7270/Q2Q240NV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239750
PNG
(CHEMBL4084604)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(Cl)c2c(N)ncnn12
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n/an/a 2.30n/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 dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50445574
PNG
(CHEMBL3103525)
Show SMILES OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(55.6,-25.2,;54.31,-26.05,;54.29,-27.58,;52.89,-27.93,;51.57,-27.44,;51.56,-25.95,;52.9,-25.47,;51.86,-26.71,;51.87,-28.3,;53.28,-28.86,;50.37,-28.72,;49.03,-27.92,;47.68,-28.67,;46.19,-28.24,;45.33,-29.52,;46.29,-30.74,;47.74,-30.21,;50.36,-30.26,;49.02,-31.01,;49.01,-32.55,;50.33,-33.32,;51.67,-32.56,;51.68,-31.02,;50.33,-34.86,;48.99,-35.63,;48.98,-37.17,;50.31,-37.95,;51.66,-37.18,;51.66,-35.64,;50.31,-39.49,;48.97,-40.26,;51.64,-40.27,;50.3,-41.03,)|
Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-7-3-15(4-8-19)14-1-5-18(6-2-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 24: 654-60 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.066
BindingDB Entry DOI: 10.7270/Q20Z74RF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239747
PNG
(CHEMBL4064543 | US10214537, Example 600)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
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n/an/a 2.40n/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 dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
More data for this
Ligand-Target Pair
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