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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 446.5
BDBM50147974
Wt: 465.5
BDBM50147976
Wt: 477.5
BDBM50147978
Wt: 475.5
BDBM50147980
Wt: 435.4
BDBM50147988
Wt: 479.6
BDBM50147990
Wt: 449.5
BDBM50147991
Wt: 477.5
BDBM50147995
Wt: 479.6
BDBM50147998
Wt: 491.5
BDBM50147999
Wt: 449.5
BDBM50148005
Wt: 337.3
BDBM50148007
Wt: 475.5
BDBM50147971
Wt: 493.6
BDBM50147972
Wt: 491.5
BDBM50370390
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
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
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147974
PNG
((S)-2-[2-((R)-1-Carbamimidoyl-piperidin-3-yl)-acet...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)C[C@H]1CCCN(C1)C(N)=N
Show InChI InChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Interleukin-2 receptor alpha


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147999
PNG
((S)-2-[2-((S)-2-Guanidino-3,3-dimethyl-butyrylamin...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N=C(N)N)C(C)(C)C
Show InChI InChI=1S/C27H33N5O4/c1-27(2,3)23(32-26(28)29)24(34)30-17-22(33)31-21(25(35)36-4)16-20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-9,12-15,21,23H,16-17H2,1-4H3,(H,30,34)(H,31,33)(H4,28,29,32)/t21-,23+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50370390
PNG
(CHEMBL1790808)
Show SMILES CC[C@@H](C)[C@H](N=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)C#Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C27H33N5O4/c1-4-18(2)24(32-27(28)29)25(34)30-17-23(33)31-22(26(35)36-3)16-21-14-12-20(13-15-21)11-10-19-8-6-5-7-9-19/h5-9,12-15,18,22,24H,4,16-17H2,1-3H3,(H,30,34)(H,31,33)(H4,28,29,32)/t18-,22+,24+/m1/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147998
PNG
(2-(R)-Cyclohexyl-2-guanidino-N-{2-oxo-2-[4-(5-o-to...)
Show SMILES Cc1ccccc1-c1cc([nH]n1)C1CCN(CC1)C(=O)CNC(=O)[C@H](N=C(N)N)C1CCCCC1
Show InChI InChI=1S/C26H37N7O2/c1-17-7-5-6-10-20(17)22-15-21(31-32-22)18-11-13-33(14-12-18)23(34)16-29-25(35)24(30-26(27)28)19-8-3-2-4-9-19/h5-7,10,15,18-19,24H,2-4,8-9,11-14,16H2,1H3,(H,29,35)(H,31,32)(H4,27,28,30)/t24-/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit mouse interleukin-2 alpha receptor was determined by SPA assay


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147995
PNG
((S)-2-[2-((S)-2-Guanidino-3-methyl-butyrylamino)-a...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N=C(N)N)C(C)C
Show InChI InChI=1S/C26H31N5O4/c1-17(2)23(31-26(27)28)24(33)29-16-22(32)30-21(25(34)35-3)15-20-13-11-19(12-14-20)10-9-18-7-5-4-6-8-18/h4-8,11-14,17,21,23H,15-16H2,1-3H3,(H,29,33)(H,30,32)(H4,27,28,31)/t21-,23-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147976
PNG
(2-(R)-Cyclohexyl-2-guanidino-N-{2-oxo-2-[4-(5-phen...)
Show SMILES NC(N)=N[C@H](C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H35N7O2/c26-25(27)29-23(19-9-5-2-6-10-19)24(34)28-16-22(33)32-13-11-18(12-14-32)21-15-20(30-31-21)17-7-3-1-4-8-17/h1,3-4,7-8,15,18-19,23H,2,5-6,9-14,16H2,(H,28,34)(H,30,31)(H4,26,27,29)/t23-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit mouse interleukin-2 alpha receptor was determined by SPA assay


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147972
PNG
(2-(R)-Cyclohexyl-N-(2-{4-[5-(2,3-dimethyl-phenyl)-...)
Show SMILES Cc1cccc(-c2cc([nH]n2)C2CCN(CC2)C(=O)CNC(=O)[C@H](N=C(N)N)C2CCCCC2)c1C
Show InChI InChI=1S/C27H39N7O2/c1-17-7-6-10-21(18(17)2)23-15-22(32-33-23)19-11-13-34(14-12-19)24(35)16-30-26(36)25(31-27(28)29)20-8-4-3-5-9-20/h6-7,10,15,19-20,25H,3-5,8-9,11-14,16H2,1-2H3,(H,30,36)(H,32,33)(H4,28,29,31)/t25-/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit mouse interleukin-2 alpha receptor was determined by SPA assay


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147990
PNG
(2-(R)-Cyclohexyl-2-guanidino-N-{2-oxo-2-[4-(5-m-to...)
Show SMILES Cc1cccc(c1)-c1cc([nH]n1)C1CCN(CC1)C(=O)CNC(=O)[C@H](N=C(N)N)C1CCCCC1
Show InChI InChI=1S/C26H37N7O2/c1-17-6-5-9-20(14-17)22-15-21(31-32-22)18-10-12-33(13-11-18)23(34)16-29-25(35)24(30-26(27)28)19-7-3-2-4-8-19/h5-6,9,14-15,18-19,24H,2-4,7-8,10-13,16H2,1H3,(H,29,35)(H,31,32)(H4,27,28,30)/t24-/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit mouse interleukin-2 alpha receptor was determined by SPA assay


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147991
PNG
((S)-2-[2-((S)-2-Guanidino-propionylamino)-acetylam...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)N=C(N)N
Show InChI InChI=1S/C24H27N5O4/c1-16(28-24(25)26)22(31)27-15-21(30)29-20(23(32)33-2)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h3-7,10-13,16,20H,14-15H2,1-2H3,(H,27,31)(H,29,30)(H4,25,26,28)/t16-,20-/m0/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147980
PNG
((S)-2-{2-[(1-Carbamimidoyl-pyrrolidine-2-carbonyl)...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(N)=N
Show InChI InChI=1S/C26H29N5O4/c1-35-25(34)21(30-23(32)17-29-24(33)22-8-5-15-31(22)26(27)28)16-20-13-11-19(12-14-20)10-9-18-6-3-2-4-7-18/h2-4,6-7,11-14,21-22H,5,8,15-17H2,1H3,(H3,27,28)(H,29,33)(H,30,32)/t21-,22-/m0/s1
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n/an/a 7.20E+5n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147971
PNG
((S)-2-{2-[(1-Carbamimidoyl-pyrrolidine-2-carbonyl)...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(N)=N
Show InChI InChI=1S/C26H29N5O4/c1-35-25(34)21(30-23(32)17-29-24(33)22-8-5-15-31(22)26(27)28)16-20-13-11-19(12-14-20)10-9-18-6-3-2-4-7-18/h2-4,6-7,11-14,21-22H,5,8,15-17H2,1H3,(H3,27,28)(H,29,33)(H,30,32)/t21-,22+/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50148005
PNG
((S)-2-{2-[2-(N-Methyl-guanidino)-acetylamino]-acet...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(N)=N
Show InChI InChI=1S/C24H27N5O4/c1-29(24(25)26)16-22(31)27-15-21(30)28-20(23(32)33-2)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h3-7,10-13,20H,14-16H2,1-2H3,(H3,25,26)(H,27,31)(H,28,30)/t20-/m0/s1
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n/an/a 1.20E+6n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147978
PNG
((S)-2-[2-((R)-2-Guanidino-3-methyl-butyrylamino)-a...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)[C@H](N=C(N)N)C(C)C
Show InChI InChI=1S/C26H31N5O4/c1-17(2)23(31-26(27)28)24(33)29-16-22(32)30-21(25(34)35-3)15-20-13-11-19(12-14-20)10-9-18-7-5-4-6-8-18/h4-8,11-14,17,21,23H,15-16H2,1-3H3,(H,29,33)(H,30,32)(H4,27,28,31)/t21-,23+/m0/s1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147988
PNG
((S)-2-[2-(2-Guanidino-acetylamino)-acetylamino]-3-...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)CNC(=O)CNC(N)=N
Show InChI InChI=1S/C23H25N5O4/c1-32-22(31)19(28-21(30)15-26-20(29)14-27-23(24)25)13-18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-6,9-12,19H,13-15H2,1H3,(H,26,29)(H,28,30)(H4,24,25,27)/t19-/m0/s1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse interleukin-2 alpha receptor by ELISA


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50148007
PNG
((S)-2-(2-Methoxy-acetylamino)-3-(4-phenylethynyl-p...)
Show SMILES COCC(=O)N[C@@H](Cc1ccc(cc1)C#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H19NO4/c1-25-14-19(22)21-18(20(23)24)13-17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-12,18H,13-14H2,1H3,(H,21,22)(H,23,24)/t18-/m0/s1
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n/an/a 2.20E+6n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Interleukin-2 receptor alpha


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50147974
PNG
((S)-2-[2-((R)-1-Carbamimidoyl-piperidin-3-yl)-acet...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)C[C@H]1CCCN(C1)C(N)=N
Show InChI InChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1
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n/an/an/an/a 1.00E+5n/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Effective concentration required against phosphorylation of Mammary gland factor/STAT5


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair