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PubMed code 10476877

Compile data set for download or QSAR
Found 15 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))		BDBM50080277
PNG
(2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionic ...)
Show SMILES CCOC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C13H18NO7P/c1-3-20-13(16)12(14-9(2)15)8-10-4-6-11(7-5-10)21-22(17,18)19/h4-7,12H,3,8H2,1-2H3,(H,14,15)(H2,17,18,19)
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n/an/an/a 3.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080271
PNG
(CHEMBL312817 | Naphthalen-1-yl-phosphonic acid)
Show SMILES OP(O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C10H9O3P/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
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n/an/an/a 1.50E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080268
PNG
((2-Methyl-benzyl)-phosphonic acid | CHEMBL78501)
Show SMILES Cc1ccccc1CP(O)(O)=O
Show InChI InChI=1S/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
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n/an/an/a 1.00E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080265
PNG
(2-Amino-3-(4-phosphonooxy-phenyl)-propionic acid |...)
Show SMILES NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)
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n/an/an/a 4.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080266
PNG
(CHEMBL24745 | Phosphoric acid mono-naphthalen-1-yl...)
Show SMILES OP(O)(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
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n/an/an/a 2.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM16419
PNG
(2-phenylacetic acid | Benzeneacetic acid | CHEMBL1...)
Show SMILES OC(=O)Cc1ccccc1
Show InChI InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
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n/an/an/a>5.00E+7n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080269
PNG
(1-naphthalenemethylphosphonate | CHEMBL37851 | Nap...)
Show SMILES OP(O)(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C11H11O3P/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,12,13,14)
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n/an/an/a 1.00E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080270
PNG
(2-(Imidazole-1-carbonyl)-benzoic acid | CHEMBL7904...)
Show SMILES OC(=O)c1ccccc1C(=O)n1ccnc1
Show InChI InChI=1S/C11H8N2O3/c14-10(13-6-5-12-7-13)8-3-1-2-4-9(8)11(15)16/h1-7H,(H,15,16)
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n/an/an/a 1.30E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080272
PNG
(CHEMBL1045 | benzene-1,2-dicarboxylic acid | o-ben...)
Show SMILES OC(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
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n/an/an/a 1.70E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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n/an/an/a 5.90E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080267
PNG
(2,5-Bis-(4,6-dimethyl-pyridin-2-ylcarbamoyl)-terep...)
Show SMILES Cc1cc(C)nc(NC(=O)c2cc(C(O)=O)c(cc2C(O)=O)C(=O)Nc2cc(C)cc(C)n2)c1
Show InChI InChI=1S/C24H22N4O6/c1-11-5-13(3)25-19(7-11)27-21(29)15-9-18(24(33)34)16(10-17(15)23(31)32)22(30)28-20-8-12(2)6-14(4)26-20/h5-10H,1-4H3,(H,31,32)(H,33,34)(H,25,27,29)(H,26,28,30)
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n/an/an/a 6.00E+4n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080273
PNG
(2-(2-Methyl-imidazole-1-carbonyl)-benzoic acid | C...)
Show SMILES Cc1nccn1C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C12H10N2O3/c1-8-13-6-7-14(8)11(15)9-4-2-3-5-10(9)12(16)17/h2-7H,1H3,(H,16,17)
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n/an/an/a 1.60E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM14675
PNG
(CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...)
Show SMILES OP(O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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n/an/an/a 3.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080275
PNG
(CHEMBL77562 | benzene-1,3,5-tricarboxylic acid)
Show SMILES OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
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n/an/an/a 2.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50080276
PNG
(CHEMBL78987 | N,N-Dipropyl-phthalamic acid)
Show SMILES CCCN(CCC)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C14H19NO3/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
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n/an/an/a 1.70E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Lck SH2 domain

Bioorg Med Chem Lett 9: 2403-6 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BK7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%