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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50010231   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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n/an/a<2n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 5n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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n/an/a 5n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092231
PNG
((4-Phenoxy-phenyl)-quinazolin-4-yl-amine | CHEMBL3...)
Show SMILES N(c1ccc(Oc2ccccc2)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C20H15N3O/c1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-14H,(H,21,22,23)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a 16n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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n/an/a 40n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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n/an/a 48n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 58n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of tie-2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a 70n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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n/an/a 75n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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n/an/a 84n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 85n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 88n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092227
PNG
(7-Cyclopentyl-5-(3-phenoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Oc4ccccc4)c3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-8-4-5-9-17)23(21)26-15-25-22)16-7-6-12-19(13-16)28-18-10-2-1-3-11-18/h1-3,6-7,10-15,17H,4-5,8-9H2,(H2,24,25,26)
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n/an/a 140n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092229
PNG
(7-tert-Butyl-5-(4-chloro-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H17ClN4/c1-16(2,3)21-8-12(10-4-6-11(17)7-5-10)13-14(18)19-9-20-15(13)21/h4-9H,1-3H3,(H2,18,19,20)
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n/an/a 150n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of tie-2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 151n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 170n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092229
PNG
(7-tert-Butyl-5-(4-chloro-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H17ClN4/c1-16(2,3)21-8-12(10-4-6-11(17)7-5-10)13-14(18)19-9-20-15(13)21/h4-9H,1-3H3,(H2,18,19,20)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 250n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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n/an/a 270n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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n/an/a 317n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092230
PNG
(7-Cyclopentyl-5-(2-phenoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3Oc3ccccc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-19(14-27(16-8-4-5-9-16)23(21)26-15-25-22)18-12-6-7-13-20(18)28-17-10-2-1-3-11-17/h1-3,6-7,10-16H,4-5,8-9H2,(H2,24,25,26)
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n/an/a 390n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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n/an/a 430n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of tie-2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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n/an/a 430n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 544n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of tie-2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50092227
PNG
(7-Cyclopentyl-5-(3-phenoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Oc4ccccc4)c3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-8-4-5-9-17)23(21)26-15-25-22)16-7-6-12-19(13-16)28-18-10-2-1-3-11-18/h1-3,6-7,10-15,17H,4-5,8-9H2,(H2,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a 1.07E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092227
PNG
(7-Cyclopentyl-5-(3-phenoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Oc4ccccc4)c3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-8-4-5-9-17)23(21)26-15-25-22)16-7-6-12-19(13-16)28-18-10-2-1-3-11-18/h1-3,6-7,10-15,17H,4-5,8-9H2,(H2,24,25,26)
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n/an/a 1.18E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092227
PNG
(7-Cyclopentyl-5-(3-phenoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(Oc4ccccc4)c3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-8-4-5-9-17)23(21)26-15-25-22)16-7-6-12-19(13-16)28-18-10-2-1-3-11-18/h1-3,6-7,10-15,17H,4-5,8-9H2,(H2,24,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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n/an/a 1.32E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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n/an/a 1.32E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a 1.57E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a 1.98E+3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of tie-2 at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
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