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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'samanta' and Initial = 'a'   
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
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50292713
PNG
(5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5'...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1O |r|
Show InChI InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(30)15(9(4-27)38-18)39-42(34,35)40-41(32,33)36-5-10-8(28)3-12(37-10)25-2-1-11(29)24-19(25)31/h1-2,6-10,12,14-15,18,27-28,30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,29,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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27n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of RNase A


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342010
PNG
(5'-phospho-2'-deoxyuridine-3'-pyrophosphate(P'->5'...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2OP(O)(=O)OP(O)(O)=O)n2ccc(=O)[nH]c2=O)[C@H]1O |r|
Show InChI InChI=1S/C19H26N7O17P3/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(29)15(9(4-27)40-18)42-45(34,35)38-5-10-8(41-46(36,37)43-44(31,32)33)3-12(39-10)25-2-1-11(28)24-19(25)30/h1-2,6-10,12,14-15,18,27,29H,3-5H2,(H,34,35)(H,36,37)(H2,20,21,22)(H,24,28,30)(H2,31,32,33)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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27n/an/an/an/an/an/a5.9n/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A at pH 5.9 by spectrophotometric method


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292721
PNG
(CHEMBL504858 | [({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...)
Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)n3cnc4c(N)ncnc34)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H29N7O20P4/c1-8-3-26(20(30)25-18(8)29)12-2-9(10(43-12)4-41-48(31,32)33)45-51(39,40)47-50(37,38)42-5-11-15(46-49(34,35)36)14(28)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28H,2,4-5H2,1H3,(H,37,38)(H,39,40)(H2,21,22,23)(H,25,29,30)(H2,31,32,33)(H2,34,35,36)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
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41n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Non-secretory ribonuclease


(Homo sapiens (Human))
BDBM50292713
PNG
(5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5'...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1O |r|
Show InChI InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(30)15(9(4-27)38-18)39-42(34,35)40-41(32,33)36-5-10-8(28)3-12(37-10)25-2-1-11(29)24-19(25)31/h1-2,6-10,12,14-15,18,27-28,30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,29,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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180n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human EDN


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292724
PNG
(CHEMBL460901 | URACIL ARABINOSE-3'-PHOSPHATE | ara...)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H]1OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292723
PNG
((2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(...)
Show SMILES OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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7.10E+3n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438455
PNG
(CHEMBL2414522)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CS(=O)(=O)CC(O)=O)O2)S(=O)(=O)CC(O)=O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H18N2O11S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(29(25,26)6-12(19)20)8(27-10)4-28(23,24)5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9+,10-/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438453
PNG
(CHEMBL2414524)
Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CS(=O)(=O)CC(O)=O)O2)S(=O)(=O)CC(O)=O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H18N2O11S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(29(25,26)6-12(19)20)8(27-10)4-28(23,24)5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9-,10-/m1/s1
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3.90E+4n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342006
PNG
(5'-Deoxy-5'-N-(4-carboxypiperidinyl)uridine | CHEM...)
Show SMILES O[C@@H]1[C@@H](CN2CCC(CC2)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H21N3O7/c19-10-3-6-18(15(24)16-10)13-12(21)11(20)9(25-13)7-17-4-1-8(2-5-17)14(22)23/h3,6,8-9,11-13,20-21H,1-2,4-5,7H2,(H,22,23)(H,16,19,24)/t9-,11-,12-,13-/m1/s1
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6.10E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Dixon plot analysis


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342006
PNG
(5'-Deoxy-5'-N-(4-carboxypiperidinyl)uridine | CHEM...)
Show SMILES O[C@@H]1[C@@H](CN2CCC(CC2)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H21N3O7/c19-10-3-6-18(15(24)16-10)13-12(21)11(20)9(25-13)7-17-4-1-8(2-5-17)14(22)23/h3,6,8-9,11-13,20-21H,1-2,4-5,7H2,(H,22,23)(H,16,19,24)/t9-,11-,12-,13-/m1/s1
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7.50E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Lineweaver-Burk analysis


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292715
PNG
(5'-deoxy-5'-N-(ethyl isonipecotatyl)uridine | CHEM...)
Show SMILES CCOC(=O)C1CCN(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)CC1 |r|
Show InChI InChI=1S/C17H25N3O7/c1-2-26-16(24)10-3-6-19(7-4-10)9-11-13(22)14(23)15(27-11)20-8-5-12(21)18-17(20)25/h5,8,10-11,13-15,22-23H,2-4,6-7,9H2,1H3,(H,18,21,25)/t11-,13-,14-,15-/m1/s1
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7.70E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292722
PNG
(3'-UMP | 3'-uridylic acid | CHEMBL460741)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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8.20E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438456
PNG
(CHEMBL2414521)
Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)S(=O)(=O)CC(O)=O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H16N2O8S/c1-6-3-14(12(19)13-11(6)18)9-2-8(7(4-15)22-9)23(20,21)5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9-/m1/s1
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8.80E+4n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438454
PNG
(CHEMBL2414523)
Show SMILES Cc1cn([C@H]2C[C@H](SCC(O)=O)[C@@H](CSCC(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H18N2O7S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(25-6-12(19)20)8(23-10)4-24-5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9+,10-/m1/s1
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9.30E+4n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438451
PNG
(CHEMBL2414510)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CS(=O)(=O)CC(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H16N2O8S/c1-6-3-14(12(19)13-11(6)18)9-2-7(15)8(22-9)4-23(20,21)5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9+/m0/s1
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9.50E+4n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50233301
PNG
(CHEMBL258728 | cytidine-3'-monophosphate)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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1.03E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292714
PNG
(3'-N-piperidine-4-carboxyl-3'-deoxyara-uridine | C...)
Show SMILES OC[C@]1(O[C@H]([C@@H](O)[C@@H]1N1CCCCC1)n1ccc(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C15H21N3O7/c19-8-15(13(22)23)11(17-5-2-1-3-6-17)10(21)12(25-15)18-7-4-9(20)16-14(18)24/h4,7,10-12,19,21H,1-3,5-6,8H2,(H,22,23)(H,16,20,24)/t10-,11-,12+,15+/m0/s1
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1.03E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438452
PNG
(CHEMBL2414509)
Show SMILES Cc1cn([C@H]2C[C@@H](SCC(O)=O)[C@@H](CSCC(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H18N2O7S2/c1-7-3-16(14(22)15-13(7)21)10-2-9(25-6-12(19)20)8(23-10)4-24-5-11(17)18/h3,8-10H,2,4-6H2,1H3,(H,17,18)(H,19,20)(H,15,21,22)/t8-,9-,10-/m1/s1
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1.08E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342007
PNG
(5'-Deoxy-5'-N-(4-carboxypiperidinyl)thymidine | CH...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCC(CC3)C(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H23N3O6/c1-9-7-19(16(24)17-14(9)21)13-6-11(20)12(25-13)8-18-4-2-10(3-5-18)15(22)23/h7,10-13,20H,2-6,8H2,1H3,(H,22,23)(H,17,21,24)/t11-,12+,13+/m0/s1
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1.21E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Dixon plot analysis


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438448
PNG
(CHEMBL2414513)
Show SMILES COC(=O)CS(=O)(=O)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H18N2O8S/c1-7-4-15(13(19)14-12(7)18)10-3-9(8(5-16)23-10)24(20,21)6-11(17)22-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10-/m1/s1
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1.40E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342007
PNG
(5'-Deoxy-5'-N-(4-carboxypiperidinyl)thymidine | CH...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCC(CC3)C(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H23N3O6/c1-9-7-19(16(24)17-14(9)21)13-6-11(20)12(25-13)8-18-4-2-10(3-5-18)15(22)23/h7,10-13,20H,2-6,8H2,1H3,(H,22,23)(H,17,21,24)/t11-,12+,13+/m0/s1
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1.62E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Lineweaver-Burk analysis


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438457
PNG
(CHEMBL2414520)
Show SMILES Cc1cn([C@H]2C[C@H](SCC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H16N2O6S/c1-6-3-14(12(19)13-11(6)18)9-2-8(7(4-15)20-9)21-5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9-/m1/s1
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1.69E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292719
PNG
(5'-deoxy-5'-N-piperidinouridine | CHEMBL444258)
Show SMILES O[C@@H]1[C@@H](CN2CCCCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H21N3O5/c18-10-4-7-17(14(21)15-10)13-12(20)11(19)9(22-13)8-16-5-2-1-3-6-16/h4,7,9,11-13,19-20H,1-3,5-6,8H2,(H,15,18,21)/t9-,11-,12-,13-/m1/s1
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1.72E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292720
PNG
(5'-deoxy-5'-N-morpholinouridine | CHEMBL460902)
Show SMILES O[C@@H]1[C@@H](CN2CCOCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H19N3O6/c17-9-1-2-16(13(20)14-9)12-11(19)10(18)8(22-12)7-15-3-5-21-6-4-15/h1-2,8,10-12,18-19H,3-7H2,(H,14,17,20)/t8-,10-,11-,12-/m1/s1
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1.79E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342008
PNG
(1-[2,5-Dideoxy-5-(4-carboxypiperidinyl)-beta-D-thr...)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](CN3CCC(CC3)C(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H23N3O6/c1-9-7-19(16(24)17-14(9)21)13-6-11(20)12(25-13)8-18-4-2-10(3-5-18)15(22)23/h7,10-13,20H,2-6,8H2,1H3,(H,22,23)(H,17,21,24)/t11-,12-,13-/m1/s1
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1.83E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Dixon plot analysis


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438458
PNG
(CHEMBL2414519)
Show SMILES Cc1cn([C@H]2C[C@H](NCC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H17N3O6/c1-6-4-15(12(20)14-11(6)19)9-2-7(8(5-16)21-9)13-3-10(17)18/h4,7-9,13,16H,2-3,5H2,1H3,(H,17,18)(H,14,19,20)/t7-,8+,9+/m0/s1
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1.86E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438445
PNG
(CHEMBL2414517)
Show SMILES COC(=O)CS(=O)(=O)C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H18N2O8S/c1-7-4-15(13(19)14-12(7)18)10-3-8(16)9(23-10)5-24(20,21)6-11(17)22-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10+/m0/s1
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2.02E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292718
PNG
(5'-deoxy-5'-N-pyrrolidinouridine | CHEMBL513623)
Show SMILES O[C@@H]1[C@@H](CN2CCCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H19N3O5/c17-9-3-6-16(13(20)14-9)12-11(19)10(18)8(21-12)7-15-4-1-2-5-15/h3,6,8,10-12,18-19H,1-2,4-5,7H2,(H,14,17,20)/t8-,10-,11-,12-/m1/s1
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2.03E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342008
PNG
(1-[2,5-Dideoxy-5-(4-carboxypiperidinyl)-beta-D-thr...)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](CN3CCC(CC3)C(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H23N3O6/c1-9-7-19(16(24)17-14(9)21)13-6-11(20)12(25-13)8-18-4-2-10(3-5-18)15(22)23/h7,10-13,20H,2-6,8H2,1H3,(H,22,23)(H,17,21,24)/t11-,12-,13-/m1/s1
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2.29E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Lineweaver-Burk analysis


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438446
PNG
(CHEMBL2414515)
Show SMILES COC(=O)CS(=O)(=O)C[C@H]1O[C@H](C[C@H]1S(=O)(=O)CC(=O)OC)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H22N2O11S2/c1-9-5-18(16(22)17-15(9)21)12-4-11(31(25,26)8-14(20)28-3)10(29-12)6-30(23,24)7-13(19)27-2/h5,10-12H,4,6-8H2,1-3H3,(H,17,21,22)/t10-,11-,12-/m1/s1
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2.42E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50342009
PNG
(5'-N-(4-Carboxypiperidinyl)-2',3'-didehydro-3',5'-...)
Show SMILES Cc1cn([C@@H]2O[C@H](CN3CCC(CC3)C(O)=O)C=C2)c(=O)[nH]c1=O |r,c:18|
Show InChI InChI=1S/C16H21N3O5/c1-10-8-19(16(23)17-14(10)20)13-3-2-12(24-13)9-18-6-4-11(5-7-18)15(21)22/h2-3,8,11-13H,4-7,9H2,1H3,(H,21,22)(H,17,20,23)/t12-,13+/m0/s1
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2.50E+5n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Lineweaver-Burk analysis


Bioorg Med Chem 19: 2478-84 (2011)


Article DOI: 10.1016/j.bmc.2010.08.059
BindingDB Entry DOI: 10.7270/Q2736R7B
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438447
PNG
(CHEMBL2414514)
Show SMILES COC(=O)CS(=O)(=O)C[C@H]1O[C@H](C[C@@H]1S(=O)(=O)CC(=O)OC)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H22N2O11S2/c1-9-5-18(16(22)17-15(9)21)12-4-11(31(25,26)8-14(20)28-3)10(29-12)6-30(23,24)7-13(19)27-2/h5,10-12H,4,6-8H2,1-3H3,(H,17,21,22)/t10-,11+,12-/m1/s1
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2.67E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438459
PNG
(CHEMBL2414518)
Show SMILES Cc1cn([C@H]2C[C@H](OCC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H16N2O7/c1-6-3-14(12(19)13-11(6)18)9-2-7(8(4-15)21-9)20-5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,13,18,19)/t7-,8+,9+/m0/s1
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2.67E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Angiogenin


(Homo sapiens (Human))
BDBM50292713
PNG
(5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5'...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1O |r|
Show InChI InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(30)15(9(4-27)38-18)39-42(34,35)40-41(32,33)36-5-10-8(28)3-12(37-10)25-2-1-11(29)24-19(25)31/h1-2,6-10,12,14-15,18,27-28,30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,29,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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3.60E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human angiogenin


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292717
PNG
(5'-deoxy-5'-N-piperidinothymidine | 5'-deoxy-5'-pi...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCCC3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1
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Article
PubMed
3.96E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50292716
PNG
(5'-deoxy-5'-Npyrrolidinothymidine | CHEMBL511875)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCC3)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m0/s1
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4.23E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic RNase A by spectrophotometric method


J Med Chem 52: 932-42 (2009)


Article DOI: 10.1021/jm800724t
BindingDB Entry DOI: 10.7270/Q2H99570
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438450
PNG
(CHEMBL2414511)
Show SMILES CCOC(=O)CN[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H21N3O6/c1-3-22-12(19)5-15-9-4-11(23-10(9)7-18)17-6-8(2)13(20)16-14(17)21/h6,9-11,15,18H,3-5,7H2,1-2H3,(H,16,20,21)/t9-,10+,11+/m0/s1
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5.04E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Bison bison (American bison))
BDBM50438449
PNG
(CHEMBL2414512)
Show SMILES COC(=O)CS[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H18N2O6S/c1-7-4-15(13(19)14-12(7)18)10-3-9(8(5-16)21-10)22-6-11(17)20-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10-/m1/s1
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7.57E+5n/an/an/an/an/an/an/an/a



Institute of Technology Kharagpur

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 4634-45 (2013)


Article DOI: 10.1016/j.bmc.2013.05.047
BindingDB Entry DOI: 10.7270/Q2WQ056P
More data for this
Ligand-Target Pair