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PubMed code 10052978

Compile data set for download or QSAR
Found 22 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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074250
PNG
(CHEMBL163548 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1OC
Show InChI InChI=1S/C26H36N3O9P/c1-16(2)12-21(25(31)27-15-19-8-11-23(36-4)24(14-19)37-5)29-26(32)22(28-17(3)30)13-18-6-9-20(10-7-18)38-39(33,34)35/h6-11,14,16,21-22H,12-13,15H2,1-5H3,(H,27,31)(H,28,30)(H,29,32)(H2,33,34,35)/t21-,22-/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074258
PNG
(CHEMBL351905 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)13-21(24(30)26-15-19-7-5-6-8-23(19)35-4)28-25(31)22(27-17(3)29)14-18-9-11-20(12-10-18)36-37(32,33)34/h5-12,16,21-22H,13-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t21-,22-/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074251
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C16H22N3O9P/c1-9(20)18-13(16(24)19-12(15(17)23)6-7-14(21)22)8-10-2-4-11(5-3-10)28-29(25,26)27/h2-5,12-13H,6-8H2,1H3,(H2,17,23)(H,18,20)(H,19,24)(H,21,22)(H2,25,26,27)/t12-,13-/m0/s1
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n/an/an/a 2.70E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074255
PNG
(CHEMBL162157 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C23H31N4O7P/c1-15(2)12-20(22(29)25-14-18-6-4-5-11-24-18)27-23(30)21(26-16(3)28)13-17-7-9-19(10-8-17)34-35(31,32)33/h4-11,15,20-21H,12-14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/an/a 3.10E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074256
PNG
(CHEMBL159974 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H31N4O7P/c1-15(2)11-20(22(29)25-14-18-5-4-10-24-13-18)27-23(30)21(26-16(3)28)12-17-6-8-19(9-7-17)34-35(31,32)33/h4-10,13,15,20-21H,11-12,14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/an/a 3.40E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074261
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1
Show InChI InChI=1S/C24H30N3O10P/c1-15(28)26-21(13-16-3-9-19(10-4-16)37-38(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-17-5-7-18(36-2)8-6-17/h3-10,20-21H,11-14H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)(H,29,30)(H2,33,34,35)/t20-,21-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074241
PNG
(CHEMBL351638 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H37N4O7P/c1-17(2)14-23(25(32)27-16-20-6-10-21(11-7-20)30(4)5)29-26(33)24(28-18(3)31)15-19-8-12-22(13-9-19)37-38(34,35)36/h6-13,17,23-24H,14-16H2,1-5H3,(H,27,32)(H,28,31)(H,29,33)(H2,34,35,36)/t23-,24-/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074243
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H28N3O9P/c1-15(27)25-20(13-16-7-9-18(10-8-16)35-36(32,33)34)23(31)26-19(11-12-21(28)29)22(30)24-14-17-5-3-2-4-6-17/h2-10,19-20H,11-14H2,1H3,(H,24,30)(H,25,27)(H,26,31)(H,28,29)(H2,32,33,34)/t19-,20-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074244
PNG
(CHEMBL350275 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H38N3O7P/c1-17(2)14-24(26(32)28-16-21-6-10-22(11-7-21)18(3)4)30-27(33)25(29-19(5)31)15-20-8-12-23(13-9-20)37-38(34,35)36/h6-13,17-18,24-25H,14-16H2,1-5H3,(H,28,32)(H,29,31)(H,30,33)(H2,34,35,36)/t24-,25-/m0/s1
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n/an/an/a 800n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074248
PNG
(CHEMBL164198 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)13-22(24(30)26-15-19-7-9-20(35-4)10-8-19)28-25(31)23(27-17(3)29)14-18-5-11-21(12-6-18)36-37(32,33)34/h5-12,16,22-23H,13-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074260
PNG
(CHEMBL160077 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccncc1
Show InChI InChI=1S/C23H31N4O7P/c1-15(2)12-20(22(29)25-14-18-8-10-24-11-9-18)27-23(30)21(26-16(3)28)13-17-4-6-19(7-5-17)34-35(31,32)33/h4-11,15,20-21H,12-14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074252
PNG
(CHEMBL435654 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)c1
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)12-22(24(30)26-15-19-6-5-7-21(13-19)35-4)28-25(31)23(27-17(3)29)14-18-8-10-20(11-9-18)36-37(32,33)34/h5-11,13,16,22-23H,12,14-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074257
PNG
(CHEMBL162038 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)c1ccc(C)cc1
Show InChI InChI=1S/C26H36N3O7P/c1-16(2)14-23(25(31)27-18(4)21-10-6-17(3)7-11-21)29-26(32)24(28-19(5)30)15-20-8-12-22(13-9-20)36-37(33,34)35/h6-13,16,18,23-24H,14-15H2,1-5H3,(H,27,31)(H,28,30)(H,29,32)(H2,33,34,35)/t18-,23-,24-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074245
PNG
(CHEMBL164429 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C25H34N3O7P/c1-16(2)13-22(24(30)26-15-20-7-5-17(3)6-8-20)28-25(31)23(27-18(4)29)14-19-9-11-21(12-10-19)35-36(32,33)34/h5-12,16,22-23H,13-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/an/a 2.50E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074249
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H30N3O9P/c1-16(28)26-21(15-18-7-9-19(10-8-18)36-37(33,34)35)24(32)27-20(11-12-22(29)30)23(31)25-14-13-17-5-3-2-4-6-17/h2-10,20-21H,11-15H2,1H3,(H,25,31)(H,26,28)(H,27,32)(H,29,30)(H2,33,34,35)/t20-,21-/m0/s1
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n/an/an/a 4.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074259
PNG
(CHEMBL162104 | Phosphoric acid mono-{4-[(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H32N3O7P/c1-16(2)13-21(23(29)25-15-19-7-5-4-6-8-19)27-24(30)22(26-17(3)28)14-18-9-11-20(12-10-18)34-35(31,32)33/h4-12,16,21-22H,13-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t21-,22-/m0/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074262
PNG
(CHEMBL348834 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)c1ccc(C)cc1
Show InChI InChI=1S/C26H36N3O7P/c1-16(2)14-23(25(31)27-18(4)21-10-6-17(3)7-11-21)29-26(32)24(28-19(5)30)15-20-8-12-22(13-9-20)36-37(33,34)35/h6-13,16,18,23-24H,14-15H2,1-5H3,(H,27,31)(H,28,30)(H,29,32)(H2,33,34,35)/t18-,23+,24+/m1/s1
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n/an/an/a 2.70E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074246
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N3O9P/c1-14(26)23-19(13-15-7-9-17(10-8-15)34-35(31,32)33)22(30)25-18(11-12-20(27)28)21(29)24-16-5-3-2-4-6-16/h2-10,18-19H,11-13H2,1H3,(H,23,26)(H,24,29)(H,25,30)(H,27,28)(H2,31,32,33)/t18-,19-/m0/s1
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n/an/an/a 8.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074247
PNG
(CHEMBL350710 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H40N3O7P/c1-17(2)15-25(27(33)29-19(5)23-11-9-22(10-12-23)18(3)4)31-28(34)26(30-20(6)32)16-21-7-13-24(14-8-21)38-39(35,36)37/h7-14,17-19,25-26H,15-16H2,1-6H3,(H,29,33)(H,30,32)(H,31,34)(H2,35,36,37)/t19-,25-,26-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074253
PNG
(CHEMBL349415 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)Cc1ccc(C)cc1
Show InChI InChI=1S/C26H36N3O7P/c1-17(2)14-24(26(32)29(5)16-21-8-6-18(3)7-9-21)28-25(31)23(27-19(4)30)15-20-10-12-22(13-11-20)36-37(33,34)35/h6-13,17,23-24H,14-16H2,1-5H3,(H,27,30)(H,28,31)(H2,33,34,35)/t23-,24-/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074254
PNG
(CHEMBL160105 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40N3O7P/c1-18(2)15-24(26(33)29-17-21-7-11-22(12-8-21)28(4,5)6)31-27(34)25(30-19(3)32)16-20-9-13-23(14-10-20)38-39(35,36)37/h7-14,18,24-25H,15-17H2,1-6H3,(H,29,33)(H,30,32)(H,31,34)(H2,35,36,37)/t24-,25-/m0/s1
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n/an/an/a 8.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074242
PNG
((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...)
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](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O
Show InChI InChI=1S/C27H39N4O14P/c1-4-14(2)23(27(40)41)31-25(38)19(10-12-22(35)36)29-24(37)18(9-11-21(33)34)30-26(39)20(28-15(3)32)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H,28,32)(H,29,37)(H,30,39)(H,31,38)(H,33,34)(H,35,36)(H,40,41)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%