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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'inglis' and Initial = 'sr'   
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
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337102
PNG
((S)-1-(2-(Diphenylmethyl)benzamido)ethaneboronate ...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C(c1ccccc1)c1ccccc1)B(O)O |r|
Show InChI InChI=1S/C22H22BNO3/c1-16(23(26)27)24-22(25)20-15-9-8-14-19(20)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21,26-27H,1H3,(H,24,25)/t16-/m1/s1
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63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337101
PNG
((S)-1-(2-(Naphthalen-2-ylcarbonyl)benzamido)ethane...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc2ccccc2c1)B(O)O |r|
Show InChI InChI=1S/C20H18BNO4/c1-13(21(25)26)22-20(24)18-9-5-4-8-17(18)19(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-13,25-26H,1H3,(H,22,24)/t13-/m1/s1
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105n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337101
PNG
((S)-1-(2-(Naphthalen-2-ylcarbonyl)benzamido)ethane...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc2ccccc2c1)B(O)O |r|
Show InChI InChI=1S/C20H18BNO4/c1-13(21(25)26)22-20(24)18-9-5-4-8-17(18)19(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-13,25-26H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337094
PNG
((S)-1-(2-Fluoro-6-phenylbenzamido)ethaneboronic ac...)
Show SMILES C[C@@H](NC(=O)c1c(F)cccc1-c1ccccc1)B(O)O |r|
Show InChI InChI=1S/C15H15BFNO3/c1-10(16(20)21)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-21H,1H3,(H,18,19)/t10-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337100
PNG
((S)-1-(2-[(Phenylsulfonyl)amino]benzamido)ethanebo...)
Show SMILES C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)B(O)O |r|
Show InChI InChI=1S/C15H17BN2O5S/c1-11(16(20)21)17-15(19)13-9-5-6-10-14(13)18-24(22,23)12-7-3-2-4-8-12/h2-11,18,20-21H,1H3,(H,17,19)/t11-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337095
PNG
((S)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...)
Show SMILES C[C@@H](NC(=O)c1c(F)cccc1F)B(O)O |r|
Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337093
PNG
((S)-1-(2-Phenylbenzamido)ethaneboronic acid | CHEM...)
Show SMILES C[C@@H](NC(=O)c1ccccc1-c1ccccc1)B(O)O |r|
Show InChI InChI=1S/C15H16BNO3/c1-11(16(19)20)17-15(18)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11,19-20H,1H3,(H,17,18)/t11-/m1/s1
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n/an/a 1.31E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337092
PNG
((S)-1-(2-Benzylbenzamido)ethaneboronic acid | CHEM...)
Show SMILES C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C16H18BNO3/c1-12(17(20)21)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-21H,11H2,1H3,(H,18,19)/t12-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337091
PNG
((S)-1-(1-Benzothiophene-5-carboxamido)ethaneboroni...)
Show SMILES C[C@@H](NC(=O)c1ccc2sccc2c1)B(O)O |r|
Show InChI InChI=1S/C11H12BNO3S/c1-7(12(15)16)13-11(14)9-2-3-10-8(6-9)4-5-17-10/h2-7,15-16H,1H3,(H,13,14)/t7-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337098
PNG
((R)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...)
Show SMILES C[C@H](NC(=O)c1c(F)cccc1F)B(O)O |r|
Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337096
PNG
((S)-1-(2,6-Dichlorobenzamido)ethaneboronic acid | ...)
Show SMILES C[C@@H](NC(=O)c1c(Cl)cccc1Cl)B(O)O |r|
Show InChI InChI=1S/C9H10BCl2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337099
PNG
((R)-1-(2-Benzylbenzamido)ethaneboronic acid | CHEM...)
Show SMILES C[C@H](NC(=O)c1ccccc1Cc1ccccc1)B(O)O |r|
Show InChI InChI=1S/C16H18BNO3/c1-12(17(20)21)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-21H,11H2,1H3,(H,18,19)/t12-/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337090
PNG
((S)-1-(Naphthalene-2-carboxamido)ethaneboronic aci...)
Show SMILES C[C@@H](NC(=O)c1ccc2ccccc2c1)B(O)O |r|
Show InChI InChI=1S/C13H14BNO3/c1-9(14(17)18)15-13(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,17-18H,1H3,(H,15,16)/t9-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300661
PNG
(3-borono-5-(2-methoxybenzamido)benzoic acid | CHEM...)
Show SMILES COc1ccccc1C(=O)Nc1cc(cc(c1)C(O)=O)B(O)O
Show InChI InChI=1S/C15H14BNO6/c1-23-13-5-3-2-4-12(13)14(18)17-11-7-9(15(19)20)6-10(8-11)16(21)22/h2-8,21-22H,1H3,(H,17,18)(H,19,20)
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300664
PNG
(3-borono-5-(2-phenoxyacetamido)benzoic acid | CHEM...)
Show SMILES OB(O)c1cc(NC(=O)COc2ccccc2)cc(c1)C(O)=O
Show InChI InChI=1S/C15H14BNO6/c18-14(9-23-13-4-2-1-3-5-13)17-12-7-10(15(19)20)6-11(8-12)16(21)22/h1-8,21-22H,9H2,(H,17,18)(H,19,20)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300662
PNG
(3-borono-5-(thiophene-2-carboxamido)benzoic acid |...)
Show SMILES OB(O)c1cc(NC(=O)c2cccs2)cc(c1)C(O)=O
Show InChI InChI=1S/C12H10BNO5S/c15-11(10-2-1-3-20-10)14-9-5-7(12(16)17)4-8(6-9)13(18)19/h1-6,18-19H,(H,14,15)(H,16,17)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300660
PNG
(3-benzamido-5-boronobenzoic acid | CHEMBL575719)
Show SMILES OB(O)c1cc(NC(=O)c2ccccc2)cc(c1)C(O)=O
Show InChI InChI=1S/C14H12BNO5/c17-13(9-4-2-1-3-5-9)16-12-7-10(14(18)19)6-11(8-12)15(20)21/h1-8,20-21H,(H,16,17)(H,18,19)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50337097
PNG
((S)-1-(2-(Propan-2-yl)benzamido)ethaneboronic acid...)
Show SMILES CC(C)c1ccccc1C(=O)N[C@H](C)B(O)O |r|
Show InChI InChI=1S/C12H18BNO3/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16)17/h4-9,16-17H,1-3H3,(H,14,15)/t9-/m1/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura R39 PBP after 60 mins


ACS Med Chem Lett 2: 219-223 (2011)


Article DOI: 10.1021/ml100260x
BindingDB Entry DOI: 10.7270/Q25H7GJZ
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300663
PNG
(3-borono-5-(2-(thiophen-2-yl)acetamido)benzoic aci...)
Show SMILES OB(O)c1cc(NC(=O)Cc2cccs2)cc(c1)C(O)=O
Show InChI InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50300659
PNG
(3-borono-5-(2-phenylacetamido)benzoic acid | CHEMB...)
Show SMILES OB(O)c1cc(NC(=O)Cc2ccccc2)cc(c1)C(O)=O
Show InChI InChI=1S/C15H14BNO5/c18-14(6-10-4-2-1-3-5-10)17-13-8-11(15(19)20)7-12(9-13)16(21)22/h1-5,7-9,21-22H,6H2,(H,17,18)(H,19,20)
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50067893
PNG
(3-Carboxyphenylboronicacid | 3-boronobenzoic acid ...)
Show SMILES OB(O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)p...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50300665
PNG
(5-boronothiophene-2-carboxylic acid | CHEMBL573906)
Show SMILES OB(O)c1ccc(s1)C(O)=O
Show InChI InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate mixture of (R)-[2-(benzoyl...


J Med Chem 52: 6097-106 (2009)


Article DOI: 10.1021/jm9009718
BindingDB Entry DOI: 10.7270/Q2G73DSS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50176311
PNG
(CHEMBL201720 | N-benzylquinolin-2-amine)
Show SMILES C(Nc1ccc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-11H,12H2,(H,17,18)
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n/an/an/a 1.93E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Binding affinity to Tec SH3 domain


Bioorg Med Chem Lett 16: 387-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.073
BindingDB Entry DOI: 10.7270/Q2GF0T28
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50176312
PNG
(3-((quinolin-2-ylamino)methyl)phenol | CHEMBL38299...)
Show SMILES Oc1cccc(CNc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C16H14N2O/c19-14-6-3-4-12(10-14)11-17-16-9-8-13-5-1-2-7-15(13)18-16/h1-10,19H,11H2,(H,17,18)
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n/an/an/a 2.34E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Binding affinity to Tec SH3 domain


Bioorg Med Chem Lett 16: 387-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.073
BindingDB Entry DOI: 10.7270/Q2GF0T28
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50176313
PNG
(CHEMBL381361 | N-(2-fluorobenzyl)quinolin-2-amine)
Show SMILES Fc1ccccc1CNc1ccc2ccccc2n1
Show InChI InChI=1S/C16H13FN2/c17-14-7-3-1-6-13(14)11-18-16-10-9-12-5-2-4-8-15(12)19-16/h1-10H,11H2,(H,18,19)
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n/an/an/a 2.08E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Binding affinity to Tec SH3 domain


Bioorg Med Chem Lett 16: 387-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.073
BindingDB Entry DOI: 10.7270/Q2GF0T28
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50176314
PNG
(CHEMBL201328 | N-(3-fluorobenzyl)quinolin-2-amine)
Show SMILES Fc1cccc(CNc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C16H13FN2/c17-14-6-3-4-12(10-14)11-18-16-9-8-13-5-1-2-7-15(13)19-16/h1-10H,11H2,(H,18,19)
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n/an/an/a 1.77E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Binding affinity to Tec SH3 domain


Bioorg Med Chem Lett 16: 387-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.073
BindingDB Entry DOI: 10.7270/Q2GF0T28
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50176316
PNG
(4-((quinolin-2-ylamino)methyl)phenol | CHEMBL20298...)
Show SMILES Oc1ccc(CNc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C16H14N2O/c19-14-8-5-12(6-9-14)11-17-16-10-7-13-3-1-2-4-15(13)18-16/h1-10,19H,11H2,(H,17,18)
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n/an/an/a 2.92E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Binding affinity to Tec SH3 domain


Bioorg Med Chem Lett 16: 387-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.073
BindingDB Entry DOI: 10.7270/Q2GF0T28
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50176315
PNG
(CHEMBL199638 | N-((1H-pyrrol-2-yl)methyl)quinolin-...)
Show SMILES C(Nc1ccc2ccccc2n1)c1ccc[nH]1
Show InChI InChI=1S/C14H13N3/c1-2-6-13-11(4-1)7-8-14(17-13)16-10-12-5-3-9-15-12/h1-9,15H,10H2,(H,16,17)
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n/an/an/a 2.85E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Binding affinity to Tec SH3 domain


Bioorg Med Chem Lett 16: 387-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.073
BindingDB Entry DOI: 10.7270/Q2GF0T28
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154591
PNG
(6-Bromo-quinolin-2-ylamine | CHEMBL189197)
Show SMILES Nc1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C9H7BrN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
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n/an/an/an/a 5.80E+4n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154582
PNG
(6-[1,3]Dioxan-2-yl-quinolin-2-ylamine | CHEMBL4266...)
Show SMILES Nc1ccc2cc(ccc2n1)C1OCCCO1
Show InChI InChI=1S/C13H14N2O2/c14-12-5-3-9-8-10(2-4-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2,(H2,14,15)
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n/an/an/a 5.20E+4n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154587
PNG
(6-[1,3]Dioxolan-2-yl-quinolin-2-ylamine | CHEMBL36...)
Show SMILES Nc1ccc2cc(ccc2n1)C1OCCO1
Show InChI InChI=1S/C12H12N2O2/c13-11-4-2-8-7-9(1-3-10(8)14-11)12-15-5-6-16-12/h1-4,7,12H,5-6H2,(H2,13,14)
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n/an/an/an/a 3.40E+4n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154589
PNG
(6-Chloro-quinolin-2-ylamine | CHEMBL189514)
Show SMILES Nc1ccc2cc(Cl)ccc2n1
Show InChI InChI=1S/C9H7ClN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
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n/an/an/an/a 7.60E+4n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154590
PNG
(6-Methoxy-quinolin-2-ylamine | CHEMBL188730)
Show SMILES COc1ccc2nc(N)ccc2c1
Show InChI InChI=1S/C10H10N2O/c1-13-8-3-4-9-7(6-8)2-5-10(11)12-9/h2-6H,1H3,(H2,11,12)
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n/an/an/an/a 6.30E+4n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154588
PNG
(5,6,7,8-Tetrahydro-quinolin-2-ylamine | CHEMBL1888...)
Show SMILES Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C9H12N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2,(H2,10,11)
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n/an/an/an/a 2.15E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50084506
PNG
(CHEMBL319543 | Methyl-quinolin-2-yl-amine)
Show SMILES CNc1ccc2ccccc2n1
Show InChI InChI=1S/C10H10N2/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3,(H,11,12)
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n/an/an/a 3.80E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154587
PNG
(6-[1,3]Dioxolan-2-yl-quinolin-2-ylamine | CHEMBL36...)
Show SMILES Nc1ccc2cc(ccc2n1)C1OCCO1
Show InChI InChI=1S/C12H12N2O2/c13-11-4-2-8-7-9(1-3-10(8)14-11)12-15-5-6-16-12/h1-4,7,12H,5-6H2,(H2,13,14)
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n/an/an/a 4.00E+4n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50013712
PNG
(2-aminopyridin | 2-aminopyridine | CHEMBL21619 | P...)
Show SMILES Nc1ccccn1
Show InChI InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
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n/an/an/a>4.00E+6n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Cytoplasmic protein NCK1


(Homo sapiens (Human))
BDBM50154587
PNG
(6-[1,3]Dioxolan-2-yl-quinolin-2-ylamine | CHEMBL36...)
Show SMILES Nc1ccc2cc(ccc2n1)C1OCCO1
Show InChI InChI=1S/C12H12N2O2/c13-11-4-2-8-7-9(1-3-10(8)14-11)12-15-5-6-16-12/h1-4,7,12H,5-6H2,(H2,13,14)
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n/an/an/an/a 3.00E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from human Nck kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM14320
PNG
(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Show SMILES Nc1nccc2ccccc12
Show InChI InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
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n/an/an/a 6.50E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/an/a 1.60E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Cytoplasmic protein NCK1


(Homo sapiens (Human))
BDBM50154583
PNG
(6-Methyl-quinolin-2-ylamine | CHEMBL361660)
Show SMILES Cc1ccc2nc(N)ccc2c1
Show InChI InChI=1S/C10H10N2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3,(H2,11,12)
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n/an/an/an/a 9.00E+4n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from human Nck kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Cytoplasmic protein NCK1


(Homo sapiens (Human))
BDBM50154582
PNG
(6-[1,3]Dioxan-2-yl-quinolin-2-ylamine | CHEMBL4266...)
Show SMILES Nc1ccc2cc(ccc2n1)C1OCCCO1
Show InChI InChI=1S/C13H14N2O2/c14-12-5-3-9-8-10(2-4-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2,(H2,14,15)
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n/an/an/an/a>5.00E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from human Nck kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154583
PNG
(6-Methyl-quinolin-2-ylamine | CHEMBL361660)
Show SMILES Cc1ccc2nc(N)ccc2c1
Show InChI InChI=1S/C10H10N2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3,(H2,11,12)
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n/an/an/an/a 7.50E+4n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/an/a>1.00E+6n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-2 peptide from human Hck kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154586
PNG
(6-(5,5-Dimethyl-[1,3]dioxan-2-yl)-quinolin-2-ylami...)
Show SMILES CC1(C)COC(OC1)c1ccc2nc(N)ccc2c1
Show InChI InChI=1S/C15H18N2O2/c1-15(2)8-18-14(19-9-15)11-3-5-12-10(7-11)4-6-13(16)17-12/h3-7,14H,8-9H2,1-2H3,(H2,16,17)
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n/an/an/a 2.20E+4n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154585
PNG
(CHEMBL187951 | Quinazolin-2-ylamine)
Show SMILES Nc1ncc2ccccc2n1
Show InChI InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
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n/an/an/a 8.00E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154584
PNG
(6-Fluoro-quinolin-2-ylamine | CHEMBL185917)
Show SMILES Nc1ccc2cc(F)ccc2n1
Show InChI InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
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n/an/an/an/a 1.50E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM50154583
PNG
(6-Methyl-quinolin-2-ylamine | CHEMBL361660)
Show SMILES Cc1ccc2nc(N)ccc2c1
Show InChI InChI=1S/C10H10N2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3,(H2,11,12)
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n/an/an/a 6.10E+4n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase


(Mus musculus)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/a 1.25E+5n/an/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
Cytoplasmic protein NCK1


(Homo sapiens (Human))
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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n/an/an/an/a 1.50E+5n/an/an/an/a



The University of Adelaide

Curated by ChEMBL


Assay Description
Displacement of PRP-1 peptide from human Nck kinase SH3 domain by fluorescence polarization


J Med Chem 47: 5405-17 (2004)


Article DOI: 10.1021/jm049533z
BindingDB Entry DOI: 10.7270/Q26M369B
More data for this
Ligand-Target Pair
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