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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'bose' and Initial = 'j'   
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
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
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n/an/a 2n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071033
PNG
(CHEMBL3409721)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCC2)n[nH]1
Show InChI InChI=1S/C19H26N6/c1-2-4-11-25(10-3-1)19-20-15-7-5-6-14(15)18(22-19)21-17-12-16(23-24-17)13-8-9-13/h12-13H,1-11H2,(H2,20,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005651
PNG
(CHEMBL3235427)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2F)cc1 |r,wU:6.9,wD:3.2,(47.51,-36.67,;46.7,-37.98,;47.43,-39.33,;45.16,-37.93,;44.43,-36.57,;42.89,-36.52,;42.09,-37.83,;42.81,-39.19,;44.35,-39.24,;40.55,-37.79,;39.74,-39.1,;40.47,-40.46,;38.2,-39.06,;37.33,-37.79,;35.85,-38.22,;35.81,-39.76,;37.26,-40.28,;34.54,-40.64,;33.21,-39.88,;31.88,-40.65,;31.88,-42.19,;30.54,-42.96,;29.21,-42.19,;29.21,-40.65,;27.87,-42.96,;26.54,-42.19,;26.55,-40.64,;25.22,-39.87,;23.88,-40.64,;23.89,-42.19,;25.22,-42.95,;25.22,-44.49,;33.21,-42.96,;34.55,-42.19,)|
Show InChI InChI=1S/C24H23FN4O4S/c25-18-3-1-2-4-19(18)29-24(33)28-17-9-5-14(6-10-17)20-13-26-22(34-20)21(30)27-16-11-7-15(8-12-16)23(31)32/h1-6,9-10,13,15-16H,7-8,11-12H2,(H,27,30)(H,31,32)(H2,28,29,33)/t15-,16-
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n/an/a 15n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005652
PNG
(CHEMBL3235428)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1 |r,wU:6.9,wD:3.2,(70.47,-38.11,;69.66,-39.41,;70.39,-40.77,;68.12,-39.37,;67.39,-38.01,;65.84,-37.96,;65.05,-39.27,;65.77,-40.63,;67.3,-40.67,;63.51,-39.23,;62.7,-40.54,;63.43,-41.9,;61.16,-40.5,;60.29,-39.23,;58.81,-39.66,;58.77,-41.2,;60.22,-41.72,;57.5,-42.08,;56.17,-41.31,;54.84,-42.08,;54.83,-43.63,;53.5,-44.4,;52.17,-43.63,;52.17,-42.09,;50.83,-44.4,;49.5,-43.62,;49.51,-42.08,;48.18,-41.31,;46.84,-42.08,;46.85,-43.63,;48.18,-44.39,;48.18,-45.93,;56.17,-44.4,;57.51,-43.63,)|
Show InChI InChI=1S/C24H23ClN4O4S/c25-18-3-1-2-4-19(18)29-24(33)28-17-9-5-14(6-10-17)20-13-26-22(34-20)21(30)27-16-11-7-15(8-12-16)23(31)32/h1-6,9-10,13,15-16H,7-8,11-12H2,(H,27,30)(H,31,32)(H2,28,29,33)/t15-,16-
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n/an/a 20n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071014
PNG
(CHEMBL3409716)
Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C19H26N6/c1-12-7-9-25(10-8-12)19-20-15-4-2-3-14(15)18(22-19)21-17-11-16(23-24-17)13-5-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005654
PNG
(CHEMBL3235430)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cc(F)c(F)cc2F)cc1 |r,wU:6.9,wD:3.2,(48.29,-50.11,;47.48,-51.42,;48.2,-52.78,;45.94,-51.37,;45.21,-50.02,;43.66,-49.97,;42.86,-51.28,;43.59,-52.64,;45.12,-52.68,;41.33,-51.24,;40.52,-52.55,;41.25,-53.9,;38.98,-52.51,;38.11,-51.24,;36.63,-51.67,;36.59,-53.21,;38.04,-53.73,;35.32,-54.09,;33.98,-53.32,;32.66,-54.09,;32.65,-55.64,;31.32,-56.41,;29.99,-55.64,;29.99,-54.1,;28.65,-56.4,;27.32,-55.63,;27.33,-54.09,;26,-53.32,;26,-51.78,;24.66,-54.09,;23.33,-53.32,;24.67,-55.64,;26,-56.4,;26,-57.94,;33.99,-56.41,;35.32,-55.64,)|
Show InChI InChI=1S/C24H21F3N4O4S/c25-16-9-18(27)19(10-17(16)26)31-24(35)30-15-5-1-12(2-6-15)20-11-28-22(36-20)21(32)29-14-7-3-13(4-8-14)23(33)34/h1-2,5-6,9-11,13-14H,3-4,7-8H2,(H,29,32)(H,33,34)(H2,30,31,35)/t13-,14-
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n/an/a 26n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071057
PNG
(CHEMBL3409713)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1
Show InChI InChI=1S/C18H24N6/c1-2-9-24(10-3-1)18-19-14-6-4-5-13(14)17(21-18)20-16-11-15(22-23-16)12-7-8-12/h11-12H,1-10H2,(H2,19,20,21,22,23)
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n/an/a 32n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005649
PNG
(CHEMBL3235425)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 |r,wU:6.9,wD:3.2,(47.51,-36.67,;46.7,-37.98,;47.43,-39.33,;45.16,-37.93,;44.43,-36.57,;42.89,-36.52,;42.09,-37.83,;42.81,-39.19,;44.35,-39.24,;40.55,-37.79,;39.74,-39.1,;40.47,-40.46,;38.2,-39.06,;37.33,-37.79,;35.85,-38.22,;35.81,-39.76,;37.26,-40.28,;34.54,-40.64,;33.21,-39.88,;31.88,-40.65,;31.88,-42.19,;30.54,-42.96,;29.21,-42.19,;29.21,-40.65,;27.87,-42.96,;26.54,-42.19,;25.22,-42.95,;23.89,-42.19,;22.54,-42.97,;23.88,-40.64,;25.22,-39.87,;25.22,-38.32,;26.55,-40.64,;33.21,-42.96,;34.55,-42.19,)|
Show InChI InChI=1S/C24H22F2N4O4S/c25-15-9-16(26)11-19(10-15)30-24(34)29-18-5-1-13(2-6-18)20-12-27-22(35-20)21(31)28-17-7-3-14(4-8-17)23(32)33/h1-2,5-6,9-12,14,17H,3-4,7-8H2,(H,28,31)(H,32,33)(H2,29,30,34)/t14-,17-
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n/an/a 34n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071036
PNG
(CHEMBL3409718)
Show SMILES CCOC(=O)C1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C21H28N6O2/c1-2-29-20(28)14-8-10-27(11-9-14)21-22-16-5-3-4-15(16)19(24-21)23-18-12-17(25-26-18)13-6-7-13/h12-14H,2-11H2,1H3,(H2,22,23,24,25,26)
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n/an/a 35n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005653
PNG
(CHEMBL3235429)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 |r,wU:6.9,wD:3.2,(25.13,-47.8,;24.31,-49.11,;25.04,-50.47,;22.78,-49.06,;22.05,-47.71,;20.5,-47.66,;19.7,-48.97,;20.43,-50.33,;21.96,-50.37,;18.16,-48.93,;17.36,-50.24,;18.09,-51.59,;15.82,-50.2,;14.95,-48.93,;13.47,-49.36,;13.43,-50.9,;14.88,-51.42,;12.16,-51.78,;10.82,-51.01,;9.49,-51.78,;9.49,-53.33,;8.16,-54.1,;6.82,-53.33,;6.83,-51.79,;5.49,-54.09,;4.16,-53.32,;4.17,-51.78,;2.84,-51.01,;1.5,-51.78,;.17,-51.01,;1.5,-53.33,;2.84,-54.09,;2.84,-55.63,;10.83,-54.1,;12.16,-53.33,)|
Show InChI InChI=1S/C24H22F2N4O4S/c25-15-5-10-19(18(26)11-15)30-24(34)29-17-6-1-13(2-7-17)20-12-27-22(35-20)21(31)28-16-8-3-14(4-9-16)23(32)33/h1-2,5-7,10-12,14,16H,3-4,8-9H2,(H,28,31)(H,32,33)(H2,29,30,34)/t14-,16-
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n/an/a 39n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071031
PNG
(CHEMBL3409723)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CC3CCC2C3)n[nH]1
Show InChI InChI=1S/C19H24N6/c1-2-14-15(3-1)20-19(25-10-11-4-7-13(25)8-11)22-18(14)21-17-9-16(23-24-17)12-5-6-12/h9,11-13H,1-8,10H2,(H2,20,21,22,23,24)
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n/an/a 41n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005655
PNG
(CHEMBL3235431)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r,wU:6.9,wD:3.2,(71.08,-51.02,;70.26,-52.33,;70.99,-53.69,;68.73,-52.28,;68,-50.93,;66.45,-50.88,;65.65,-52.19,;66.38,-53.55,;67.91,-53.59,;64.11,-52.15,;63.31,-53.46,;64.04,-54.81,;61.77,-53.42,;60.9,-52.15,;59.42,-52.58,;59.38,-54.12,;60.83,-54.64,;58.11,-55,;56.77,-54.23,;55.44,-55,;55.44,-56.55,;54.11,-57.32,;52.77,-56.55,;52.78,-55.01,;51.44,-57.31,;50.11,-56.54,;50.12,-55,;48.79,-54.23,;47.45,-55,;47.45,-56.55,;48.79,-57.31,;56.78,-57.32,;58.11,-56.55,)|
Show InChI InChI=1S/C24H24N4O4S/c29-21(26-18-12-8-16(9-13-18)23(30)31)22-25-14-20(33-22)15-6-10-19(11-7-15)28-24(32)27-17-4-2-1-3-5-17/h1-7,10-11,14,16,18H,8-9,12-13H2,(H,26,29)(H,30,31)(H2,27,28,32)/t16-,18-
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n/an/a 55n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071032
PNG
(CHEMBL3409722)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCCC2)n[nH]1
Show InChI InChI=1S/C20H28N6/c1-2-4-11-26(12-5-3-1)20-21-16-8-6-7-15(16)19(23-20)22-18-13-17(24-25-18)14-9-10-14/h13-14H,1-12H2,(H2,21,22,23,24,25)
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n/an/a 58n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50354643
PNG
(CHEMBL1834206)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
Show InChI InChI=1S/C26H20F2N2O3S/c27-17-9-11-22-23(13-17)34-26(30-22)29-21-10-8-16(12-20(21)28)14-4-6-15(7-5-14)24(31)18-2-1-3-19(18)25(32)33/h4-13,18-19H,1-3H2,(H,29,30)(H,32,33)/t18-,19-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 (unknown origin)


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005647
PNG
(CHEMBL3235422)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1 |r,wU:6.9,wD:3.2,(28.27,-23.6,;27.46,-24.91,;28.18,-26.27,;25.92,-24.86,;25.19,-23.5,;23.64,-23.45,;22.84,-24.77,;23.57,-26.12,;25.1,-26.17,;21.31,-24.72,;20.5,-26.04,;21.23,-27.39,;18.96,-25.99,;18.09,-24.72,;16.61,-25.16,;16.57,-26.7,;18.02,-27.21,;15.3,-27.57,;13.96,-26.81,;12.64,-27.58,;12.63,-29.12,;11.3,-29.89,;9.97,-29.12,;9.97,-27.58,;8.51,-29.61,;7.25,-28.72,;6.01,-29.63,;6.5,-31.09,;8.04,-31.08,;8.96,-32.32,;8.34,-33.73,;10.49,-32.14,;9.71,-33.65,;4.55,-29.18,;4.22,-27.67,;2.75,-27.21,;1.61,-28.25,;1.95,-29.76,;3.42,-30.21,;13.97,-29.89,;15.31,-29.12,)|
Show InChI InChI=1S/C28H23F3N4O5S/c29-28(30,31)22-21(35-25(40-22)16-4-2-1-3-5-16)23(36)33-18-10-6-15(7-11-18)20-14-32-26(41-20)24(37)34-19-12-8-17(9-13-19)27(38)39/h1-7,10-11,14,17,19H,8-9,12-13H2,(H,33,36)(H,34,37)(H,38,39)/t17-,19-
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n/an/a 73n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005648
PNG
(CHEMBL3235423)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 |r,wU:6.9,wD:3.2,(51.34,-23.3,;50.53,-24.61,;51.25,-25.96,;48.99,-24.56,;48.26,-23.2,;46.71,-23.15,;45.91,-24.46,;46.64,-25.82,;48.17,-25.87,;44.37,-24.42,;43.57,-25.73,;44.3,-27.09,;42.03,-25.69,;41.16,-24.42,;39.68,-24.86,;39.64,-26.39,;41.09,-26.91,;38.37,-27.27,;37.03,-26.51,;35.7,-27.28,;35.7,-28.82,;34.37,-29.59,;33.03,-28.82,;33.04,-27.28,;31.7,-29.59,;31.7,-31.12,;30.38,-31.89,;30.38,-33.43,;29.03,-31.12,;29.04,-29.58,;27.7,-28.81,;30.37,-28.81,;37.04,-29.59,;38.37,-28.82,)|
Show InChI InChI=1S/C24H21F2N3O4S/c25-16-9-15(10-17(26)11-16)21(30)28-18-5-1-13(2-6-18)20-12-27-23(34-20)22(31)29-19-7-3-14(4-8-19)24(32)33/h1-2,5-6,9-12,14,19H,3-4,7-8H2,(H,28,30)(H,29,31)(H,32,33)/t14-,19-
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n/an/a 76n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071056
PNG
(CHEMBL3409714)
Show SMILES OCC1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
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n/an/a 90n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071026
PNG
(CHEMBL3409728)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C19H19N5/c1-2-5-13(6-3-1)18-20-15-8-4-7-14(15)19(22-18)21-17-11-16(23-24-17)12-9-10-12/h1-3,5-6,11-12H,4,7-10H2,(H2,20,21,22,23,24)
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n/an/a 97n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071019
PNG
(CHEMBL3409735)
Show SMILES CCOC(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C(C)(C)C)n1
Show InChI InChI=1S/C22H32N6O2/c1-5-30-20(29)14-8-7-11-28(13-14)21-23-16-10-6-9-15(16)19(25-21)24-18-12-17(26-27-18)22(2,3)4/h12,14H,5-11,13H2,1-4H3,(H2,23,24,25,26,27)
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n/an/a 108n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50071014
PNG
(CHEMBL3409716)
Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C19H26N6/c1-12-7-9-25(10-8-12)19-20-15-4-2-3-14(15)18(22-19)21-17-11-16(23-24-17)13-5-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,23,24)
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n/an/a 110n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolved f...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50341782
PNG
(4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carb...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)|
Show InChI InChI=1S/C30H30F3N3O5/c31-30(32,33)25-24(35-27(41-25)20-4-2-1-3-5-20)26(37)34-23-12-10-18(11-13-23)19-14-16-36(17-15-19)28(38)21-6-8-22(9-7-21)29(39)40/h1-5,10-13,19,21-22H,6-9,14-17H2,(H,34,37)(H,39,40)/t21-,22-
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n/an/a 114n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071035
PNG
(CHEMBL3409719)
Show SMILES N#CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C19H23N7/c20-11-12-6-8-26(9-7-12)19-21-15-3-1-2-14(15)18(23-19)22-17-10-16(24-25-17)13-4-5-13/h10,12-13H,1-9H2,(H2,21,22,23,24,25)
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n/an/a 124n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071029
PNG
(CHEMBL3409725)
Show SMILES Cc1ccc(CNc2nc3CCCc3c(Nc3cc([nH]n3)C3CC3)n2)cc1
Show InChI InChI=1S/C21H24N6/c1-13-5-7-14(8-6-13)12-22-21-23-17-4-2-3-16(17)20(25-21)24-19-11-18(26-27-19)15-9-10-15/h5-8,11,15H,2-4,9-10,12H2,1H3,(H3,22,23,24,25,26,27)
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n/an/a 149n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50005650
PNG
(CHEMBL3235426)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:26.28,wD:29.35,(1.32,-43.95,;2.65,-43.18,;2.64,-41.64,;1.31,-40.88,;1.31,-39.33,;2.64,-38.56,;3.97,-39.33,;3.96,-40.87,;5.3,-41.64,;6.63,-40.87,;6.63,-39.33,;7.96,-41.64,;9.3,-40.88,;9.3,-39.33,;10.63,-38.56,;11.96,-39.32,;11.97,-40.87,;10.63,-41.65,;13.23,-38.45,;13.28,-36.91,;14.75,-36.47,;15.62,-37.75,;14.68,-38.97,;17.16,-37.79,;17.9,-39.14,;17.97,-36.48,;19.51,-36.52,;20.31,-35.21,;21.85,-35.26,;22.58,-36.61,;21.77,-37.92,;20.23,-37.88,;24.12,-36.66,;24.93,-35.35,;24.85,-38.02,)|
Show InChI InChI=1S/C25H26N4O5S/c1-34-20-5-3-2-4-19(20)29-25(33)28-18-10-6-15(7-11-18)21-14-26-23(35-21)22(30)27-17-12-8-16(9-13-17)24(31)32/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,17-
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n/an/a 150n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...


Eur J Med Chem 79: 203-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.077
BindingDB Entry DOI: 10.7270/Q23R0VCD
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071038
PNG
(CHEMBL3409715)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C23H33N7O/c1-3-29(4-2)22(31)16-7-6-12-30(14-16)23-24-18-9-5-8-17(18)21(26-23)25-20-13-19(27-28-20)15-10-11-15/h13,15-16H,3-12,14H2,1-2H3,(H2,24,25,26,27,28)
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n/an/a 184n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402299
PNG
(CHEMBL2206064)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(Oc2ccccc2)cccc1C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O/c1-26-18-13-10-11-15(27-19(13)29-20(25)28-18)17-14(21(22,23)24)8-5-9-16(17)30-12-6-3-2-4-7-12/h2-11H,1H3,(H3,25,26,27,28,29)
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n/an/a 200n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071037
PNG
(CHEMBL3409717)
Show SMILES CC1(C)CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C20H28N6/c1-20(2)8-10-26(11-9-20)19-21-15-5-3-4-14(15)18(23-19)22-17-12-16(24-25-17)13-6-7-13/h12-13H,3-11H2,1-2H3,(H2,21,22,23,24,25)
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n/an/a 203n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402291
PNG
(CHEMBL2206071)
Show SMILES CNc1nc(N)nc2nc(c(cc12)C(O)=O)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H12F3N5O2/c1-21-12-9-6-8(14(25)26)11(22-13(9)24-15(20)23-12)7-4-2-3-5-10(7)16(17,18)19/h2-6H,1H3,(H,25,26)(H3,20,21,22,23,24)
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n/an/a 250n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071022
PNG
(CHEMBL3409732)
Show SMILES CC(C)(C)c1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1
Show InChI InChI=1S/C19H28N6/c1-19(2,3)15-12-16(24-23-15)21-17-13-8-7-9-14(13)20-18(22-17)25-10-5-4-6-11-25/h12H,4-11H2,1-3H3,(H2,20,21,22,23,24)
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n/an/a 251n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402302
PNG
(CHEMBL2205521)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C15H11F4N5/c1-21-12-7-5-6-10(22-13(7)24-14(20)23-12)11-8(15(17,18)19)3-2-4-9(11)16/h2-6H,1H3,(H3,20,21,22,23,24)
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n/an/a 260n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071030
PNG
(CHEMBL3409724)
Show SMILES C(Nc1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1)c1ccccc1
Show InChI InChI=1S/C20H22N6/c1-2-5-13(6-3-1)12-21-20-22-16-8-4-7-15(16)19(24-20)23-18-11-17(25-26-18)14-9-10-14/h1-3,5-6,11,14H,4,7-10,12H2,(H3,21,22,23,24,25,26)
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n/an/a 267n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402292
PNG
(CHEMBL2206070)
Show SMILES CCCc1cc2c(NC)nc(N)nc2nc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H18F3N5/c1-3-6-10-9-12-15(23-2)25-17(22)26-16(12)24-14(10)11-7-4-5-8-13(11)18(19,20)21/h4-5,7-9H,3,6H2,1-2H3,(H3,22,23,24,25,26)
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n/an/a 270n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071021
PNG
(CHEMBL3409733)
Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C(C)(C)C)n1
Show InChI InChI=1S/C20H30N6/c1-13-8-10-26(11-9-13)19-21-15-7-5-6-14(15)18(23-19)22-17-12-16(24-25-17)20(2,3)4/h12-13H,5-11H2,1-4H3,(H2,21,22,23,24,25)
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Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402300
PNG
(CHEMBL2206063)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(SC)cccc1C(F)(F)F
Show InChI InChI=1S/C16H14F3N5S/c1-21-13-8-6-7-10(22-14(8)24-15(20)23-13)12-9(16(17,18)19)4-3-5-11(12)25-2/h3-7H,1-2H3,(H3,20,21,22,23,24)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402296
PNG
(CHEMBL2206067)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(cccc1C(F)(F)F)N1CCCC1
Show InChI InChI=1S/C19H19F3N6/c1-24-16-11-7-8-13(25-17(11)27-18(23)26-16)15-12(19(20,21)22)5-4-6-14(15)28-9-2-3-10-28/h4-8H,2-3,9-10H2,1H3,(H3,23,24,25,26,27)
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n/an/a 430n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071025
PNG
(CHEMBL3409729)
Show SMILES Cc1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1
Show InChI InChI=1S/C16H22N6/c1-11-10-14(21-20-11)18-15-12-6-5-7-13(12)17-16(19-15)22-8-3-2-4-9-22/h10H,2-9H2,1H3,(H2,17,18,19,20,21)
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n/an/a 442n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402316
PNG
(CHEMBL2206073)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H12F3N5/c1-20-12-9-6-7-11(21-13(9)23-14(19)22-12)8-4-2-3-5-10(8)15(16,17)18/h2-7H,1H3,(H3,19,20,21,22,23)
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n/an/a 480n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402293
PNG
(CHEMBL2203315)
Show SMILES CNc1nc(N)nc2nc(c(C)cc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H14F3N5/c1-8-7-10-13(21-2)23-15(20)24-14(10)22-12(8)9-5-3-4-6-11(9)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24)
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n/an/a 500n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402303
PNG
(CHEMBL2205520)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2N5/c1-18-12-7-5-6-10(19-13(7)21-14(17)20-12)11-8(15)3-2-4-9(11)16/h2-6H,1H3,(H3,17,18,19,20,21)
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n/an/a 510n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402308
PNG
(CHEMBL2205515)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1ccccc1Br
Show InChI InChI=1S/C14H12BrN5/c1-17-12-9-6-7-11(8-4-2-3-5-10(8)15)18-13(9)20-14(16)19-12/h2-7H,1H3,(H3,16,17,18,19,20)
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n/an/a 530n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402301
PNG
(CHEMBL2205522)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(OC)cccc1C(F)(F)F
Show InChI InChI=1S/C16H14F3N5O/c1-21-13-8-6-7-10(22-14(8)24-15(20)23-13)12-9(16(17,18)19)4-3-5-11(12)25-2/h3-7H,1-2H3,(H3,20,21,22,23,24)
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n/an/a 560n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071020
PNG
(CHEMBL3409734)
Show SMILES CC(C)(C)c1cc(Nc2nc(nc3CCCc23)N2CCCCCC2)n[nH]1
Show InChI InChI=1S/C20H30N6/c1-20(2,3)16-13-17(25-24-16)22-18-14-9-8-10-15(14)21-19(23-18)26-11-6-4-5-7-12-26/h13H,4-12H2,1-3H3,(H2,21,22,23,24,25)
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n/an/a 568n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402305
PNG
(CHEMBL2205518)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl2N5/c1-18-12-9-4-5-11(19-13(9)21-14(17)20-12)8-3-2-7(15)6-10(8)16/h2-6H,1H3,(H3,17,18,19,20,21)
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n/an/a 610n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402294
PNG
(CHEMBL2206069)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(F)cccc1N1CCCC1
Show InChI InChI=1S/C18H19FN6/c1-21-16-11-7-8-13(22-17(11)24-18(20)23-16)15-12(19)5-4-6-14(15)25-9-2-3-10-25/h4-8H,2-3,9-10H2,1H3,(H3,20,21,22,23,24)
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n/an/a 620n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071017
PNG
(CHEMBL3409737)
Show SMILES CC1CCN(CC1)c1nc2c(CCC2(F)F)c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C19H24F2N6/c1-11-5-8-27(9-6-11)18-23-16-13(4-7-19(16,20)21)17(24-18)22-15-10-14(25-26-15)12-2-3-12/h10-12H,2-9H2,1H3,(H2,22,23,24,25,26)
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n/an/a 786n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402295
PNG
(CHEMBL2206068)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1c(Cl)cccc1N1CCCC1
Show InChI InChI=1S/C18H19ClN6/c1-21-16-11-7-8-13(22-17(11)24-18(20)23-16)15-12(19)5-4-6-14(15)25-9-2-3-10-25/h4-8H,2-3,9-10H2,1H3,(H3,20,21,22,23,24)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402304
PNG
(CHEMBL2205519)
Show SMILES CNc1nc(N)nc2nc(ccc12)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H11Cl2N5/c1-18-12-8-3-5-11(19-13(8)21-14(17)20-12)9-6-7(15)2-4-10(9)16/h2-6H,1H3,(H3,17,18,19,20,21)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071023
PNG
(CHEMBL3409731)
Show SMILES CCOC(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc(C)[nH]n2)n1
Show InChI InChI=1S/C19H26N6O2/c1-3-27-18(26)13-6-5-9-25(11-13)19-20-15-8-4-7-14(15)17(22-19)21-16-10-12(2)23-24-16/h10,13H,3-9,11H2,1-2H3,(H2,20,21,22,23,24)
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n/an/a 970n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50402290
PNG
(CHEMBL2206072)
Show SMILES CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(cc12)S(C)(=O)=O
Show InChI InChI=1S/C16H14F3N5O2S/c1-21-13-9-7-11(27(2,25)26)12(22-14(9)24-15(20)23-13)8-5-3-4-6-10(8)16(17,18)19/h3-7H,1-2H3,(H3,20,21,22,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to su...


Bioorg Med Chem Lett 22: 7518-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.035
BindingDB Entry DOI: 10.7270/Q2VQ33V6
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50071059
PNG
(CHEMBL3409712)
Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCNCC2)n[nH]1
Show InChI InChI=1S/C17H23N7/c1-2-12-13(3-1)19-17(24-8-6-18-7-9-24)21-16(12)20-15-10-14(22-23-15)11-4-5-11/h10-11,18H,1-9H2,(H2,19,20,21,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...


Eur J Med Chem 92: 246-56 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.053
BindingDB Entry DOI: 10.7270/Q2639RFV
More data for this
Ligand-Target Pair
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