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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'keenan' and Initial = 'tp'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132351
PNG
(({4-[6-(2,6-Dichloro-phenyl)-8-(3-dimethylamino-pr...)
Show SMILES CN(C)CCCn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C25H27Cl2N5O6P2/c1-31(2)11-4-12-32-23-16(13-19(24(32)33)22-20(26)5-3-6-21(22)27)14-28-25(30-23)29-17-7-9-18(10-8-17)39(34,35)15-40(36,37)38/h3,5-10,13-14H,4,11-12,15H2,1-2H3,(H,34,35)(H,28,29,30)(H2,36,37,38)
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n/an/a 0.300n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM13930
PNG
((2S)-N-tert-butyl-1-[(2R)-2-[(8S,11S)-8-(carbamoyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2
Show InChI InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1
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n/an/a 0.600n/an/an/an/a5.530



University of Pennsylvania



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 215-8 (1994)


Article DOI: 10.1021/jm00028a001
BindingDB Entry DOI: 10.7270/Q2DR2SNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM902
PNG
((3R)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2...)
Show SMILES CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)(Cc2ccccc2)C1=O
Show InChI InChI=1S/C43H50N4O7/c1-28(2)22-43(38(49)34(25-46-43)33(40(44)51)20-29-12-6-3-7-13-29)35-26-45-42(39(35)50,23-31-16-10-5-11-17-31)24-37(48)36(21-30-14-8-4-9-15-30)47-41(52)54-32-18-19-53-27-32/h3-17,25-26,28,32-37,48H,18-24,27H2,1-2H3,(H2,44,51)(H,47,52)/t32-,33-,34?,35?,36+,37+,42+,43+/m1/s1
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n/an/a 1.30n/an/an/an/a5.530



University of Pennsylvania



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 215-8 (1994)


Article DOI: 10.1021/jm00028a001
BindingDB Entry DOI: 10.7270/Q2DR2SNQ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132541
PNG
((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132348
PNG
(({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)
Show SMILES Cn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(9-15(20(27)28)18-16(22)3-2-4-17(18)23)10-24-21(26-19)25-13-5-7-14(8-6-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33)
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n/an/a 2n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2 (CDK2)


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132322
PNG
(({2-[(2-{4-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2...)
Show SMILES CN(CCOP(O)(=O)CP(O)(O)=O)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C24H29N5O7P2/c1-28(11-12-36-38(34,35)16-37(31,32)33)10-9-17-5-7-19(8-6-17)29-14-21(18-3-2-4-20(30)13-18)22-23(25)26-15-27-24(22)29/h2-8,13-15,30H,9-12,16H2,1H3,(H,34,35)(H2,25,26,27)(H2,31,32,33)
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n/an/a 4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132554
PNG
((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C36H43NO9/c1-5-28(26-21-31(42-2)34(44-4)32(22-26)43-3)35(40)37-19-10-9-16-29(37)36(41)46-30(18-17-24-12-7-6-8-13-24)25-14-11-15-27(20-25)45-23-33(38)39/h6-8,11-15,20-22,28-30H,5,9-10,16-19,23H2,1-4H3,(H,38,39)/t28-,29-,30+/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132541
PNG
((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132550
PNG
((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-propionyl]-...)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C37H45NO11/c1-23(26-20-32(45-4)35(47-6)33(21-26)46-5)36(41)38-17-8-7-12-28(38)37(42)49-29(25-10-9-11-27(19-25)48-22-34(39)40)15-13-24-14-16-30(43-2)31(18-24)44-3/h9-11,14,16,18-21,23,28-29H,7-8,12-13,15,17,22H2,1-6H3,(H,39,40)/t23-,28-,29+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM13931
PNG
((2S)-N-[(2S,3R)-4-{[(8S,11S)-8-[(2R)-butan-2-yl]-7...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C(C)C)N1CCCC1=O
Show InChI InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24?,29-,30-,31+,33-,34-/m0/s1
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n/an/a 10n/an/an/an/a5.530



University of Pennsylvania



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 37: 215-8 (1994)


Article DOI: 10.1021/jm00028a001
BindingDB Entry DOI: 10.7270/Q2DR2SNQ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132558
PNG
((E)-(12S,13R,14S,17R,21S,23S,24R,25R,27R)-17-Ethyl...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC([C@H](C)C[C@H]2OC)C(=O)C(=O)N2CCCCC2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Show InChI InChI=1S/C43H69NO11/c1-10-30-18-24(2)17-25(3)19-36(52-8)41-37(53-9)21-27(5)40(54-41)38(48)42(49)44-16-12-11-13-31(44)43(50)55-39(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)51-7/h18,20,25,27-33,35-37,39-41,45-46H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31?,32+,33-,35+,36-,37+,39+,40?,41+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132542
PNG
((S)-1-[(S)-2-(3,4,5-Trimethoxy-phenyl)-butyryl]-pi...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cccnc1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C35H42N2O9/c1-5-27(25-19-30(42-2)33(44-4)31(20-25)43-3)34(40)37-17-7-6-13-28(37)35(41)46-29(15-14-23-10-9-16-36-21-23)24-11-8-12-26(18-24)45-22-32(38)39/h8-12,16,18-21,27-29H,5-7,13-15,17,22H2,1-4H3,(H,38,39)/t27-,28-,29+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3071
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 38 | 2-ani...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221656
PNG
(CHEMBL3706663)
Show SMILES Nc1ncnc2n(nc(-c3cccc(O)c3)c12)-c1cccc(c1)P(O)(=O)CC(O)=O
Show InChI InChI=1S/C19H16N5O5P/c20-18-16-17(11-3-1-5-13(25)7-11)23-24(19(16)22-10-21-18)12-4-2-6-14(8-12)30(28,29)9-15(26)27/h1-8,10,25H,9H2,(H,26,27)(H,28,29)(H2,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132560
PNG
((S)-1-((S)-2-Benzo[1,3]dioxol-5-yl-butyryl)-piperi...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C36H41NO10/c1-4-27(24-13-16-31-33(20-24)46-22-45-31)35(40)37-17-6-5-10-28(37)36(41)47-29(25-8-7-9-26(19-25)44-21-34(38)39)14-11-23-12-15-30(42-2)32(18-23)43-3/h7-9,12-13,15-16,18-20,27-29H,4-6,10-11,14,17,21-22H2,1-3H3,(H,38,39)/t27-,28-,29+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132544
PNG
((S)-1-((S)-2-Phenyl-butyryl)-piperidine-2-carboxyl...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1
Show InChI InChI=1S/C35H41NO8/c1-4-28(25-11-6-5-7-12-25)34(39)36-20-9-8-15-29(36)35(40)44-30(26-13-10-14-27(22-26)43-23-33(37)38)18-16-24-17-19-31(41-2)32(21-24)42-3/h5-7,10-14,17,19,21-22,28-30H,4,8-9,15-16,18,20,23H2,1-3H3,(H,37,38)/t28-,29-,30+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132324
PNG
(3-{4-Amino-7-[4-(2-hydroxy-ethyl)-phenyl]-7H-pyrro...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCO)cc1
Show InChI InChI=1S/C20H18N4O2/c21-19-18-17(14-2-1-3-16(26)10-14)11-24(20(18)23-12-22-19)15-6-4-13(5-7-15)8-9-25/h1-7,10-12,25-26H,8-9H2,(H2,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132544
PNG
((S)-1-((S)-2-Phenyl-butyryl)-piperidine-2-carboxyl...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1
Show InChI InChI=1S/C35H41NO8/c1-4-28(25-11-6-5-7-12-25)34(39)36-20-9-8-15-29(36)35(40)44-30(26-13-10-14-27(22-26)43-23-33(37)38)18-16-24-17-19-31(41-2)32(21-24)42-3/h5-7,10-14,17,19,21-22,28-30H,4,8-9,15-16,18,20,23H2,1-3H3,(H,37,38)/t28-,29-,30+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132339
PNG
(3-[4-Amino-7-(4-{2-[(2-hydroxy-ethyl)-methyl-amino...)
Show SMILES CN(CCO)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N5O2/c1-27(11-12-29)10-9-16-5-7-18(8-6-16)28-14-20(17-3-2-4-19(30)13-17)21-22(24)25-15-26-23(21)28/h2-8,13-15,29-30H,9-12H2,1H3,(H2,24,25,26)
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n/an/a 40n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451556
PNG
(CHEMBL3084838)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)P(O)(=O)CP(O)(O)=O)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H33N7O5P2/c24-15-5-7-17(8-6-15)27-23-28-21(20-22(29-23)30(13-25-20)18-3-1-2-4-18)26-16-9-11-19(12-10-16)36(31,32)14-37(33,34)35/h9-13,15,17-18H,1-8,14,24H2,(H,31,32)(H2,33,34,35)(H2,26,27,28,29)/t15-,17-
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n/an/a 41n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132556
PNG
((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132334
PNG
(CHEMBL104215 | [(2-{4-[4-Amino-5-(3-hydroxy-phenyl...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCOP(O)(=O)CP(O)(O)=O)cc1
Show InChI InChI=1S/C21H22N4O7P2/c22-20-19-18(15-2-1-3-17(26)10-15)11-25(21(19)24-12-23-20)16-6-4-14(5-7-16)8-9-32-34(30,31)13-33(27,28)29/h1-7,10-12,26H,8-9,13H2,(H,30,31)(H2,22,23,24)(H2,27,28,29)
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n/an/a 60n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132551
PNG
(1-(1-Ethyl-propylcarbamoyl)-piperidine-2-carboxyli...)
Show SMILES CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C31H42N2O8/c1-5-23(6-2)32-31(37)33-17-8-7-12-25(33)30(36)41-26(22-10-9-11-24(19-22)40-20-29(34)35)15-13-21-14-16-27(38-3)28(18-21)39-4/h9-11,14,16,18-19,23,25-26H,5-8,12-13,15,17,20H2,1-4H3,(H,32,37)(H,34,35)/t25-,26+/m0/s1
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n/an/a 64n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132352
PNG
(({3-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)
Show SMILES Cn1c2nc(Nc3cccc(c3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(8-15(20(27)28)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-13-4-2-5-14(9-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33)
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n/an/a 77n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132330
PNG
(7-tert-Butyl-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Cc1ccc(cc1)-c1cn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C17H20N4/c1-11-5-7-12(8-6-11)13-9-21(17(2,3)4)16-14(13)15(18)19-10-20-16/h5-10H,1-4H3,(H2,18,19,20)
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n/an/a 120n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451553
PNG
(CHEMBL3084839)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H29N7/c23-15-10-12-17(13-11-15)26-22-27-20(25-16-6-2-1-3-7-16)19-21(28-22)29(14-24-19)18-8-4-5-9-18/h1-3,6-7,14-15,17-18H,4-5,8-13,23H2,(H2,25,26,27,28)/t15-,17-
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n/an/a 141n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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n/an/a 160n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132353
PNG
(CHEMBL102801 | {4-[6-(2,6-Dichloro-phenyl)-8-methy...)
Show SMILES Cn1c2nc(Nc3ccc(OCC(O)=O)c(c3)P(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C22H17Cl2N4O7P/c1-28-20-11(7-13(21(28)31)19-14(23)3-2-4-15(19)24)9-25-22(27-20)26-12-5-6-16(35-10-18(29)30)17(8-12)36(32,33)34/h2-9H,10H2,1H3,(H,29,30)(H,25,26,27)(H2,32,33,34)
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n/an/a 200n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132335
PNG
(CHEMBL104857 | [(3-{4-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(cc2)C(=O)NCCCP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O7P2/c1-36-19-5-2-4-17(12-19)20-13-29(23-21(20)22(25)27-14-28-23)18-8-6-16(7-9-18)24(30)26-10-3-11-37(31,32)15-38(33,34)35/h2,4-9,12-14H,3,10-11,15H2,1H3,(H,26,30)(H,31,32)(H2,25,27,28)(H2,33,34,35)
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n/an/a 250n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132333
PNG
(({2-[(2-{4-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCOP(O)(=O)CP(O)(O)=O)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C25H31N5O7P2/c1-29(12-13-37-39(34,35)17-38(31,32)33)11-10-18-6-8-20(9-7-18)30-15-22(19-4-3-5-21(14-19)36-2)23-24(26)27-16-28-25(23)30/h3-9,14-16H,10-13,17H2,1-2H3,(H,34,35)(H2,26,27,28)(H2,31,32,33)
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n/an/a 310n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221655
PNG
(CHEMBL3706661)
Show SMILES Cc1ccc(cc1)-c1nn(-c2cccc(c2)C(=O)NCc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C26H24N6O7P2/c1-15-5-8-17(9-6-15)23-22-24(27)29-14-30-25(22)32(31-23)19-4-2-3-18(12-19)26(33)28-13-16-7-10-20(40(34,35)36)21(11-16)41(37,38)39/h2-12,14H,13H2,1H3,(H,28,33)(H2,27,29,30)(H2,34,35,36)(H2,37,38,39)
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n/an/a 320n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132328
PNG
(CHEMBL321116 | [(3-{3-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(=O)NCCCP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O7P2/c1-36-19-8-3-5-16(12-19)20-13-29(23-21(20)22(25)27-14-28-23)18-7-2-6-17(11-18)24(30)26-9-4-10-37(31,32)15-38(33,34)35/h2-3,5-8,11-14H,4,9-10,15H2,1H3,(H,26,30)(H,31,32)(H2,25,27,28)(H2,33,34,35)
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n/an/a 360n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221654
PNG
(CHEMBL3706662)
Show SMILES Cc1ccc(cc1)-c1nn(-c2cccc(c2)C(=O)NCCCP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O6P2/c1-15-6-8-16(9-7-15)20-19-21(24)26-13-27-22(19)29(28-20)18-5-2-4-17(12-18)23(30)25-10-3-11-36(31,32)14-37(33,34)35/h2,4-9,12-13H,3,10-11,14H2,1H3,(H,25,30)(H,31,32)(H2,24,26,27)(H2,33,34,35)
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n/an/a 400n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132326
PNG
(CHEMBL421405 | {[4-(4-Amino-3-p-tolyl-pyrazolo[3,4...)
Show SMILES Cc1ccc(cc1)-c1nn(CCCCOP(O)(=O)CP(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C17H23N5O6P2/c1-12-4-6-13(7-5-12)15-14-16(18)19-10-20-17(14)22(21-15)8-2-3-9-28-30(26,27)11-29(23,24)25/h4-7,10H,2-3,8-9,11H2,1H3,(H,26,27)(H2,18,19,20)(H2,23,24,25)
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n/an/a 680n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132338
PNG
(CHEMBL102183 | [(2-{4-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCOP(O)(=O)CP(O)(O)=O)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N4O7P2/c1-32-18-4-2-3-16(11-18)19-12-26(22-20(19)21(23)24-13-25-22)17-7-5-15(6-8-17)9-10-33-35(30,31)14-34(27,28)29/h2-8,11-13H,9-10,14H2,1H3,(H,30,31)(H2,23,24,25)(H2,27,28,29)
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n/an/a 700n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132350
PNG
(({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)
Show SMILES Cn1c2nc(Nc3ccc(CP(O)(=O)CP(O)(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C22H20Cl2N4O6P2/c1-28-20-14(9-16(21(28)29)19-17(23)3-2-4-18(19)24)10-25-22(27-20)26-15-7-5-13(6-8-15)11-35(30,31)12-36(32,33)34/h2-10H,11-12H2,1H3,(H,30,31)(H,25,26,27)(H2,32,33,34)
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n/an/a 750n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132325
PNG
((4-{4-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(cc2)C(=O)Nc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C26H23N5O8P2/c1-39-19-4-2-3-16(11-19)20-13-31(25-23(20)24(27)28-14-29-25)18-8-5-15(6-9-18)26(32)30-17-7-10-21(40(33,34)35)22(12-17)41(36,37)38/h2-14H,1H3,(H,30,32)(H2,27,28,29)(H2,33,34,35)(H2,36,37,38)
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n/an/a 870n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132329
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C21H20N4O2/c1-27-17-4-2-3-15(11-17)18-12-25(21-19(18)20(22)23-13-24-21)16-7-5-14(6-8-16)9-10-26/h2-8,11-13,26H,9-10H2,1H3,(H2,22,23,24)
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n/an/a 1.15E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132349
PNG
(CHEMBL320374 | {5-[6-(2,6-Dichloro-phenyl)-8-methy...)
Show SMILES Cn1c2nc(Nc3ccc(c(c3)P(O)(O)=O)P(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C20H16Cl2N4O7P2/c1-26-18-10(7-12(19(26)27)17-13(21)3-2-4-14(17)22)9-23-20(25-18)24-11-5-6-15(34(28,29)30)16(8-11)35(31,32)33/h2-9H,1H3,(H,23,24,25)(H2,28,29,30)(H2,31,32,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 3071-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00649-8
BindingDB Entry DOI: 10.7270/Q21J995T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132332
PNG
(4-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(cc2)C(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C20H16N4O3/c1-27-15-4-2-3-13(9-15)16-10-24(19-17(16)18(21)22-11-23-19)14-7-5-12(6-8-14)20(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132547
PNG
(1-Phenylacetyl-piperidine-2-carboxylic acid 1-(3-c...)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)Cc2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C33H37NO8/c1-39-29-17-15-24(19-30(29)40-2)14-16-28(25-11-8-12-26(21-25)41-22-32(36)37)42-33(38)27-13-6-7-18-34(27)31(35)20-23-9-4-3-5-10-23/h3-5,8-12,15,17,19,21,27-28H,6-7,13-14,16,18,20,22H2,1-2H3,(H,36,37)/t27-,28+/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50132547
PNG
(1-Phenylacetyl-piperidine-2-carboxylic acid 1-(3-c...)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)Cc2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C33H37NO8/c1-39-29-17-15-24(19-30(29)40-2)14-16-28(25-11-8-12-26(21-25)41-22-32(36)37)42-33(38)27-13-6-7-18-34(27)31(35)20-23-9-4-3-5-10-23/h3-5,8-12,15,17,19,21,27-28H,6-7,13-14,16,18,20,22H2,1-2H3,(H,36,37)/t27-,28+/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



ARIAD Gene Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12


Bioorg Med Chem Lett 13: 3181-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00707-8
BindingDB Entry DOI: 10.7270/Q2BV7G0S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221653
PNG
(CHEMBL3706664)
Show SMILES COc1cccc(c1)-c1nn(-c2cccc(c2)P(O)(=O)CC(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N5O5P/c1-30-14-6-2-4-12(8-14)18-17-19(21)22-11-23-20(17)25(24-18)13-5-3-7-15(9-13)31(28,29)10-16(26)27/h2-9,11H,10H2,1H3,(H,26,27)(H,28,29)(H2,21,22,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132331
PNG
((4-{3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(=O)Nc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C26H23N5O8P2/c1-39-19-7-3-4-15(11-19)20-13-31(25-23(20)24(27)28-14-29-25)18-6-2-5-16(10-18)26(32)30-17-8-9-21(40(33,34)35)22(12-17)41(36,37)38/h2-14H,1H3,(H,30,32)(H2,27,28,29)(H2,33,34,35)(H2,36,37,38)
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n/an/a 2.50E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132327
PNG
(3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C20H16N4O3/c1-27-15-7-3-4-12(9-15)16-10-24(19-17(16)18(21)22-11-23-19)14-6-2-5-13(8-14)20(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451559
PNG
(CHEMBL102550)
Show SMILES OP(O)(=O)CP(O)(=O)CCCNc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C20H28N6O5P2/c27-32(28,14-33(29,30)31)12-6-11-21-20-24-18(23-15-7-2-1-3-8-15)17-19(25-20)26(13-22-17)16-9-4-5-10-16/h1-3,7-8,13,16H,4-6,9-12,14H2,(H,27,28)(H2,29,30,31)(H2,21,23,24,25)
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n/an/a 5.23E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451558
PNG
(CHEMBL102976)
Show SMILES CN(C)CCNc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C20H27N7/c1-26(2)13-12-21-20-24-18(23-15-8-4-3-5-9-15)17-19(25-20)27(14-22-17)16-10-6-7-11-16/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H2,21,23,24,25)
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n/an/a 9.81E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50451554
PNG
(CHEMBL3085229)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(c(c2)P(O)(O)=O)P(O)(O)=O)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H31N7O6P2/c23-13-5-7-14(8-6-13)26-22-27-20(19-21(28-22)29(12-24-19)16-3-1-2-4-16)25-15-9-10-17(36(30,31)32)18(11-15)37(33,34)35/h9-14,16H,1-8,23H2,(H2,30,31,32)(H2,33,34,35)(H2,25,26,27,28)/t13-,14-
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n/an/a 1.57E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50132323
PNG
(CHEMBL104077 | [(4-{3-[4-Amino-5-(3-methoxy-phenyl...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(c2)C(=O)Nc2ccc(cc2)C(P(O)(O)=O)P(O)(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C27H25N5O8P2/c1-40-21-7-3-4-17(13-21)22-14-32(25-23(22)24(28)29-15-30-25)20-6-2-5-18(12-20)26(33)31-19-10-8-16(9-11-19)27(41(34,35)36)42(37,38)39/h2-15,27H,1H3,(H,31,33)(H2,28,29,30)(H2,34,35,36)(H2,37,38,39)
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n/an/a 1.90E+4n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.


Bioorg Med Chem Lett 13: 3063-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00647-4
BindingDB Entry DOI: 10.7270/Q290235N
More data for this
Ligand-Target Pair
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