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PubMed code 11514153

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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))		BDBM50103063
PNG
(CHEMBL24482 | Phosphoric acid mono-{4-[(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C29H32N3O7PS/c1-20(33)30-26(17-21-9-13-25(14-10-21)39-40(36,37)38)28(34)31-27-19-41-16-15-32(29(27)35)18-22-7-11-24(12-8-22)23-5-3-2-4-6-23/h2-14,26-27H,15-19H2,1H3,(H,30,33)(H,31,34)(H2,36,37,38)/t26-,27-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103045
PNG
(3-{(R)-6-[(S)-2-Acetylamino-3-(4-phosphonooxy-phen...)
Show SMILES COC(=O)c1cccc(CN2CCSC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)c1
Show InChI InChI=1S/C25H30N3O9PS/c1-16(29)26-21(13-17-6-8-20(9-7-17)37-38(33,34)35)23(30)27-22-15-39-11-10-28(24(22)31)14-18-4-3-5-19(12-18)25(32)36-2/h3-9,12,21-22H,10-11,13-15H2,1-2H3,(H,26,29)(H,27,30)(H2,33,34,35)/t21-,22-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103062
PNG
(CHEMBL304304 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C30H31N4O7PS/c1-20(35)32-27(16-21-9-11-25(12-10-21)41-42(38,39)40)29(36)33-28-19-43-14-13-34(30(28)37)18-22-5-4-7-23(15-22)26-8-3-2-6-24(26)17-31/h2-12,15,27-28H,13-14,16,18-19H2,1H3,(H,32,35)(H,33,36)(H2,38,39,40)/t27-,28-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103065
PNG
(CHEMBL307344 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(OC(F)(F)F)c2)C1=O
Show InChI InChI=1S/C24H27F3N3O8PS/c1-15(31)28-20(12-16-5-7-18(8-6-16)38-39(34,35)36)22(32)29-21-14-40-10-9-30(23(21)33)13-17-3-2-4-19(11-17)37-24(25,26)27/h2-8,11,20-21H,9-10,12-14H2,1H3,(H,28,31)(H,29,32)(H2,34,35,36)/t20-,21-/m0/s1
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Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103051
PNG
(CHEMBL66294 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc3OCOc3c2Cl)C1=O
Show InChI InChI=1S/C24H27ClN3O9PS/c1-14(29)26-18(10-15-2-5-17(6-3-15)37-38(32,33)34)23(30)27-19-12-39-9-8-28(24(19)31)11-16-4-7-20-22(21(16)25)36-13-35-20/h2-7,18-19H,8-13H2,1H3,(H,26,29)(H,27,30)(H2,32,33,34)/t18-,19-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103053
PNG
(CHEMBL68300 | [(S)-1-[4-(3-Cyclohexyl-propyl)-5-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSCCN(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C28H44N3O8PS/c1-28(2,3)38-27(34)30-23(18-21-11-13-22(14-12-21)39-40(35,36)37)25(32)29-24-19-41-17-16-31(26(24)33)15-7-10-20-8-5-4-6-9-20/h11-14,20,23-24H,4-10,15-19H2,1-3H3,(H,29,32)(H,30,34)(H2,35,36,37)/t23-,24?/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103066
PNG
(CHEMBL66171 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)C(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C30H32N3O8PS/c1-20(34)31-26(17-21-10-12-25(13-11-21)41-42(38,39)40)29(36)32-27-19-43-15-14-33(30(27)37)18-22-6-5-9-24(16-22)28(35)23-7-3-2-4-8-23/h2-13,16,26-27H,14-15,17-19H2,1H3,(H,31,34)(H,32,36)(H2,38,39,40)/t26-,27-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103043
PNG
(CHEMBL69373 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C24H27F3N3O7PS/c1-15(31)28-20(12-16-5-7-19(8-6-16)37-38(34,35)36)22(32)29-21-14-39-10-9-30(23(21)33)13-17-3-2-4-18(11-17)24(25,26)27/h2-8,11,20-21H,9-10,12-14H2,1H3,(H,28,31)(H,29,32)(H2,34,35,36)/t20-,21-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103052
PNG
(CHEMBL303238 | Phosphoric acid benzyl ester 4-[(2-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C44H40N3O8PS/c1-53-35-24-20-33(21-25-35)43-42(46-40(48)26-30-18-22-36(23-19-30)55-56(51,52)54-29-31-10-3-2-4-11-31)44(50)47(38-16-7-8-17-39(38)57-43)28-41(49)45-27-34-14-9-13-32-12-5-6-15-37(32)34/h2-25,42-43H,26-29H2,1H3,(H,45,49)(H,46,48)(H,51,52)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103049
PNG
(CHEMBL65844 | {(S)-2-[4-(Benzyloxy-hydroxy-phospho...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H56N3O9PS/c1-46(2,3)57-45(52)47-38(30-33-21-25-37(26-22-33)58-59(53,54)56-31-34-16-9-6-10-17-34)43(50)48-41-42(35-23-27-36(55-4)28-24-35)60-40-20-12-11-19-39(40)49(44(41)51)29-13-18-32-14-7-5-8-15-32/h6,9-12,16-17,19-28,32,38,41-42H,5,7-8,13-15,18,29-31H2,1-4H3,(H,47,52)(H,48,50)(H,53,54)/t38-,41?,42?/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103050
PNG
(CHEMBL63752 | Phosphoric acid mono-[4-((S)-2-acety...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CN1CCSC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)C1=O
Show InChI InChI=1S/C26H33N4O8PS/c1-17(31)27-22(14-18-4-10-21(11-5-18)38-39(35,36)37)25(33)28-23-16-40-13-12-30(26(23)34)15-24(32)19-6-8-20(9-7-19)29(2)3/h4-11,22-23H,12-16H2,1-3H3,(H,27,31)(H,28,33)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103044
PNG
(CHEMBL430262 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C39H50N3O8PS/c1-39(2,3)49-38(45)41-32(25-29-20-22-31(23-21-29)50-51(46,47)48-26-30-15-8-5-9-16-30)36(43)40-33-27-52-35-19-11-10-18-34(35)42(37(33)44)24-12-17-28-13-6-4-7-14-28/h5,8-11,15-16,18-23,28,32-33H,4,6-7,12-14,17,24-27H2,1-3H3,(H,40,43)(H,41,45)(H,46,47)/t32-,33?/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103054
PNG
(((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc(Oc3ccccc3)c2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C51H51N4O11PS/c1-51(2,3)65-50(59)53-42(30-34-22-26-40(27-23-34)66-67(60,61)63-33-35-14-7-5-8-15-35)48(57)54-46-47(36-24-28-38(62-4)29-25-36)68-44-21-12-11-20-43(44)55(49(46)58)32-45(56)52-37-16-13-19-41(31-37)64-39-17-9-6-10-18-39/h5-29,31,42,46-47H,30,32-33H2,1-4H3,(H,52,56)(H,53,59)(H,54,57)(H,60,61)/t42-,46?,47?/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103067
PNG
(CHEMBL66442 | [(R)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103064
PNG
(4'-[3-{(S)-3-[4-(Benzyloxy-hydroxy-phosphoryloxy)-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(Cc2ccc(cc2)-c2ccccc2C(=O)OC(C)(C)C)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C55H58N3O11PS/c1-54(2,3)67-52(61)44-18-12-11-17-43(44)39-25-21-37(22-26-39)34-58-46-19-13-14-20-47(46)71-49(40-27-31-41(65-7)32-28-40)48(51(58)60)57-50(59)45(56-53(62)68-55(4,5)6)33-36-23-29-42(30-24-36)69-70(63,64)66-35-38-15-9-8-10-16-38/h8-32,45,48-49H,33-35H2,1-7H3,(H,56,62)(H,57,59)(H,63,64)/t45-,48?,49?/m0/s1
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Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103047
PNG
(CHEMBL304284 | Phosphoric acid benzyl ester 4-(2-(...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1ccc(OP(O)(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C43H38N3O8PS/c1-52-34-22-18-31(19-23-34)41-40(45-42(48)32-20-24-35(25-21-32)54-55(50,51)53-28-29-10-3-2-4-11-29)43(49)46(37-16-7-8-17-38(37)56-41)27-39(47)44-26-33-14-9-13-30-12-5-6-15-36(30)33/h2-25,40-41H,26-28H2,1H3,(H,44,47)(H,45,48)(H,50,51)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103046
PNG
(CHEMBL304340 | [(S)-1-[5-(3-Cyclohexyl-propyl)-2-(...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N3O6S/c1-39(2,3)48-38(46)40-31(25-27-16-20-29(43)21-17-27)36(44)41-34-35(28-18-22-30(47-4)23-19-28)49-33-15-9-8-14-32(33)42(37(34)45)24-10-13-26-11-6-5-7-12-26/h8-9,14-23,26,31,34-35,43H,5-7,10-13,24-25H2,1-4H3,(H,40,46)(H,41,44)/t31-,34?,35?/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103057
PNG
(((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(C(C(=O)Nc2cccc3ccccc23)c2ccccc2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C55H53N4O10PS/c1-55(2,3)68-54(63)57-45(34-36-26-30-42(31-27-36)69-70(64,65)67-35-37-16-7-5-8-17-37)51(60)58-48-50(40-28-32-41(66-4)33-29-40)71-47-25-14-13-24-46(47)59(53(48)62)49(39-19-9-6-10-20-39)52(61)56-44-23-15-21-38-18-11-12-22-43(38)44/h5-33,45,48-50H,34-35H2,1-4H3,(H,56,61)(H,57,63)(H,58,60)(H,64,65)/t45-,48?,49?,50?/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103055
PNG
(CHEMBL66278 | Phosphoric acid benzyl ester 6-(2-(4...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1ccc2cc(OP(O)(=O)OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C47H40N3O8PS/c1-56-38-23-20-33(21-24-38)45-44(49-46(52)36-19-18-35-27-39(25-22-34(35)26-36)58-59(54,55)57-30-31-10-3-2-4-11-31)47(53)50(41-16-7-8-17-42(41)60-45)29-43(51)48-28-37-14-9-13-32-12-5-6-15-40(32)37/h2-27,44-45H,28-30H2,1H3,(H,48,51)(H,49,52)(H,54,55)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103059
PNG
(CHEMBL302113 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C49H49N4O10PS/c1-49(2,3)62-48(57)51-40(29-32-21-25-37(26-22-32)63-64(58,59)61-31-33-13-6-5-7-14-33)46(55)52-44-45(35-23-27-36(60-4)28-24-35)65-42-20-11-10-19-41(42)53(47(44)56)30-43(54)50-39-18-12-16-34-15-8-9-17-38(34)39/h5-28,40,44-45H,29-31H2,1-4H3,(H,50,54)(H,51,57)(H,52,55)(H,58,59)/t40-,44?,45?/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103059
PNG
(CHEMBL302113 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C49H49N4O10PS/c1-49(2,3)62-48(57)51-40(29-32-21-25-37(26-22-32)63-64(58,59)61-31-33-13-6-5-7-14-33)46(55)52-44-45(35-23-27-36(60-4)28-24-35)65-42-20-11-10-19-41(42)53(47(44)56)30-43(54)50-39-18-12-16-34-15-8-9-17-38(34)39/h5-28,40,44-45H,29-31H2,1-4H3,(H,50,54)(H,51,57)(H,52,55)(H,58,59)/t40-,44?,45?/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103059
PNG
(CHEMBL302113 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C49H49N4O10PS/c1-49(2,3)62-48(57)51-40(29-32-21-25-37(26-22-32)63-64(58,59)61-31-33-13-6-5-7-14-33)46(55)52-44-45(35-23-27-36(60-4)28-24-35)65-42-20-11-10-19-41(42)53(47(44)56)30-43(54)50-39-18-12-16-34-15-8-9-17-38(34)39/h5-28,40,44-45H,29-31H2,1-4H3,(H,50,54)(H,51,57)(H,52,55)(H,58,59)/t40-,44?,45?/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103044
PNG
(CHEMBL430262 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C39H50N3O8PS/c1-39(2,3)49-38(45)41-32(25-29-20-22-31(23-21-29)50-51(46,47)48-26-30-15-8-5-9-16-30)36(43)40-33-27-52-35-19-11-10-18-34(35)42(37(33)44)24-12-17-28-13-6-4-7-14-28/h5,8-11,15-16,18-23,28,32-33H,4,6-7,12-14,17,24-27H2,1-3H3,(H,40,43)(H,41,45)(H,46,47)/t32-,33?/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103068
PNG
(CHEMBL279193 | Phosphoric acid benzyl ester 1-chlo...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1ccc2c(Cl)c(OP(O)(=O)OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C47H39ClN3O8PS/c1-57-36-22-18-32(19-23-36)45-44(47(54)51(39-16-7-8-17-41(39)61-45)28-42(52)49-27-35-14-9-13-31-12-5-6-15-37(31)35)50-46(53)34-20-24-38-33(26-34)21-25-40(43(38)48)59-60(55,56)58-29-30-10-3-2-4-11-30/h2-26,44-45H,27-29H2,1H3,(H,49,52)(H,50,53)(H,55,56)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103049
PNG
(CHEMBL65844 | {(S)-2-[4-(Benzyloxy-hydroxy-phospho...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H56N3O9PS/c1-46(2,3)57-45(52)47-38(30-33-21-25-37(26-22-33)58-59(53,54)56-31-34-16-9-6-10-17-34)43(50)48-41-42(35-23-27-36(55-4)28-24-35)60-40-20-12-11-19-39(40)49(44(41)51)29-13-18-32-14-7-5-8-15-32/h6,9-12,16-17,19-28,32,38,41-42H,5,7-8,13-15,18,29-31H2,1-4H3,(H,47,52)(H,48,50)(H,53,54)/t38-,41?,42?/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103056
PNG
(((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C51H51N4O11PS/c1-51(2,3)65-50(59)53-42(31-34-19-25-41(26-20-34)66-67(60,61)63-33-35-13-7-5-8-14-35)48(57)54-46-47(36-21-27-38(62-4)28-22-36)68-44-18-12-11-17-43(44)55(49(46)58)32-45(56)52-37-23-29-40(30-24-37)64-39-15-9-6-10-16-39/h5-30,42,46-47H,31-33H2,1-4H3,(H,52,56)(H,53,59)(H,54,57)(H,60,61)/t42-,46?,47?/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103041
PNG
(CHEMBL67608 | Phosphoric acid benzyl ester 2-(2-(4...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1cc2cc(OP(O)(=O)OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C45H39N4O8PS/c1-55-34-20-18-31(19-21-34)43-42(48-44(51)38-25-33-24-35(22-23-37(33)47-38)57-58(53,54)56-28-29-10-3-2-4-11-29)45(52)49(39-16-7-8-17-40(39)59-43)27-41(50)46-26-32-14-9-13-30-12-5-6-15-36(30)32/h2-25,42-43,47H,26-28H2,1H3,(H,46,50)(H,48,51)(H,53,54)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103042
PNG
(CHEMBL304746 | {(S)-1-[5-Benzyl-2-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(Cc2ccccc2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H46N3O9PS/c1-44(2,3)55-43(50)45-36(27-30-19-23-35(24-20-30)56-57(51,52)54-29-32-15-9-6-10-16-32)41(48)46-39-40(33-21-25-34(53-4)26-22-33)58-38-18-12-11-17-37(38)47(42(39)49)28-31-13-7-5-8-14-31/h5-26,36,39-40H,27-29H2,1-4H3,(H,45,50)(H,46,48)(H,51,52)/t36-,39?,40?/m0/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103044
PNG
(CHEMBL430262 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C39H50N3O8PS/c1-39(2,3)49-38(45)41-32(25-29-20-22-31(23-21-29)50-51(46,47)48-26-30-15-8-5-9-16-30)36(43)40-33-27-52-35-19-11-10-18-34(35)42(37(33)44)24-12-17-28-13-6-4-7-14-28/h5,8-11,15-16,18-23,28,32-33H,4,6-7,12-14,17,24-27H2,1-3H3,(H,40,43)(H,41,45)(H,46,47)/t32-,33?/m0/s1
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n/an/a 8.70E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103058
PNG
(((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2ccccc2OC)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H49N4O11PS/c1-46(2,3)60-45(54)48-36(27-30-19-23-34(24-20-30)61-62(55,56)59-29-31-13-7-6-8-14-31)43(52)49-41-42(32-21-25-33(57-4)26-22-32)63-39-18-12-10-16-37(39)50(44(41)53)28-40(51)47-35-15-9-11-17-38(35)58-5/h6-26,36,41-42H,27-29H2,1-5H3,(H,47,51)(H,48,54)(H,49,52)(H,55,56)/t36-,41?,42?/m0/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103049
PNG
(CHEMBL65844 | {(S)-2-[4-(Benzyloxy-hydroxy-phospho...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H56N3O9PS/c1-46(2,3)57-45(52)47-38(30-33-21-25-37(26-22-33)58-59(53,54)56-31-34-16-9-6-10-17-34)43(50)48-41-42(35-23-27-36(55-4)28-24-35)60-40-20-12-11-19-39(40)49(44(41)51)29-13-18-32-14-7-5-8-15-32/h6,9-12,16-17,19-28,32,38,41-42H,5,7-8,13-15,18,29-31H2,1-4H3,(H,47,52)(H,48,50)(H,53,54)/t38-,41?,42?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103053
PNG
(CHEMBL68300 | [(S)-1-[4-(3-Cyclohexyl-propyl)-5-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSCCN(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C28H44N3O8PS/c1-28(2,3)38-27(34)30-23(18-21-11-13-22(14-12-21)39-40(35,36)37)25(32)29-24-19-41-17-16-31(26(24)33)15-7-10-20-8-5-4-6-9-20/h11-14,20,23-24H,4-10,15-19H2,1-3H3,(H,29,32)(H,30,34)(H2,35,36,37)/t23-,24?/m0/s1
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n/an/a 1.15E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103040
PNG
(CHEMBL67271 | [(S)-2-[4-(Benzyloxy-hydroxy-phospho...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C50H51N4O10PS/c1-50(2,3)63-49(58)52-41(29-33-21-25-39(26-22-33)64-65(59,60)62-32-34-13-6-5-7-14-34)47(56)53-45-46(36-23-27-38(61-4)28-24-36)66-43-20-11-10-19-42(43)54(48(45)57)31-44(55)51-30-37-17-12-16-35-15-8-9-18-40(35)37/h5-28,41,45-46H,29-32H2,1-4H3,(H,51,55)(H,52,58)(H,53,56)(H,59,60)/t41-,45?,46?/m0/s1
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n/an/a 1.18E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103040
PNG
(CHEMBL67271 | [(S)-2-[4-(Benzyloxy-hydroxy-phospho...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C50H51N4O10PS/c1-50(2,3)63-49(58)52-41(29-33-21-25-39(26-22-33)64-65(59,60)62-32-34-13-6-5-7-14-34)47(56)53-45-46(36-23-27-38(61-4)28-24-36)66-43-20-11-10-19-42(43)54(48(45)57)31-44(55)51-30-37-17-12-16-35-15-8-9-18-40(35)37/h5-28,41,45-46H,29-32H2,1-4H3,(H,51,55)(H,52,58)(H,53,56)(H,59,60)/t41-,45?,46?/m0/s1
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n/an/a 1.28E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103059
PNG
(CHEMBL302113 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C49H49N4O10PS/c1-49(2,3)62-48(57)51-40(29-32-21-25-37(26-22-32)63-64(58,59)61-31-33-13-6-5-7-14-33)46(55)52-44-45(35-23-27-36(60-4)28-24-35)65-42-20-11-10-19-41(42)53(47(44)56)30-43(54)50-39-18-12-16-34-15-8-9-17-38(34)39/h5-28,40,44-45H,29-31H2,1-4H3,(H,50,54)(H,51,57)(H,52,55)(H,58,59)/t40-,44?,45?/m0/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103046
PNG
(CHEMBL304340 | [(S)-1-[5-(3-Cyclohexyl-propyl)-2-(...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N3O6S/c1-39(2,3)48-38(46)40-31(25-27-16-20-29(43)21-17-27)36(44)41-34-35(28-18-22-30(47-4)23-19-28)49-33-15-9-8-14-32(33)42(37(34)45)24-10-13-26-11-6-5-7-12-26/h8-9,14-23,26,31,34-35,43H,5-7,10-13,24-25H2,1-4H3,(H,40,46)(H,41,44)/t31-,34?,35?/m0/s1
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n/an/a 1.64E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103061
PNG
(CHEMBL304745 | Phosphoric acid benzyl ester 4-[2-(...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)CCc1ccc(OP(O)(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C45H42N3O8PS/c1-54-36-25-21-34(22-26-36)44-43(47-41(49)27-20-31-18-23-37(24-19-31)56-57(52,53)55-30-32-10-3-2-4-11-32)45(51)48(39-16-7-8-17-40(39)58-44)29-42(50)46-28-35-14-9-13-33-12-5-6-15-38(33)35/h2-19,21-26,43-44H,20,27-30H2,1H3,(H,46,50)(H,47,49)(H,52,53)
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n/an/a 3.39E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103067
PNG
(CHEMBL66442 | [(R)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m1/s1
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n/an/a 4.22E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50103060
PNG
(CHEMBL306655 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2NC(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H40N3O9PS/c1-37(2,3)48-36(43)39-30(22-24-14-18-28(19-15-24)49-50(44,45)47-23-25-10-6-5-7-11-25)34(41)40-32-33(26-16-20-27(46-4)21-17-26)51-31-13-9-8-12-29(31)38-35(32)42/h5-21,30,32-33H,22-23H2,1-4H3,(H,38,42)(H,39,43)(H,40,41)(H,44,45)/t30-,32?,33?/m0/s1
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n/an/a 8.73E+5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%