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Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'dasgupta' and Initial = 's'   
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
Collagenase


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.0610n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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3.80n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50247674
PNG
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COc1cc(COc2ccc3c(NCCN(C(CCCCNS(C)(=O)=O)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C24H34N4O9S2/c1-35-19-12-17(13-20(14-19)36-2)16-37-18-7-8-23-21(15-18)25-10-11-28(39(23,33)34)22(24(29)27-30)6-4-5-9-26-38(3,31)32/h7-8,12-15,22,25-26,30H,4-6,9-11,16H2,1-3H3,(H,27,29)
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5n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
RNAse A


(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
CAM-RNase A


(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)
CAM-RNase A


(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)
Collagenase


(Homo sapiens (Human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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46.7n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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55n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
Eosinophil-derived neurotoxin (EDN)


(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
CAM-RNase A


(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 (crystal)
CAM-RNase A


(Bison bison (American bison))
BDBM50298711
PNG
((2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(O)(O)=O)c(=O)n1 |r|
Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/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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7.00E+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 assay


Bioorg Med Chem 17: 4921-7 (2009)


Article DOI: 10.1016/j.bmc.2009.06.002
BindingDB Entry DOI: 10.7270/Q2XW4JV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CAM-RNase A


(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 (crystal)
RNAse A


(Homo sapiens (Human))
BDBM50375418
PNG
(CHEMBL408119)
Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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1.32E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
CAM-RNase A


(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
CAM-RNase A


(Bison bison (American bison))
BDBM50331790
PNG
(3-Amino-N-[2-hydroxymethyl-5-(5-methyl-2,4-dioxo-3...)
Show SMILES Cc1cn([C@H]2C[C@H](NC(=O)C(N)CC(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H20N4O7/c1-6-4-18(14(24)17-12(6)22)10-3-8(9(5-19)25-10)16-13(23)7(15)2-11(20)21/h4,7-10,19H,2-3,5,15H2,1H3,(H,16,23)(H,20,21)(H,17,22,24)/t7?,8-,9+,10+/m0/s1
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3.70E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine pancreatic RNase A ribonucleolytic activity of by Dixon plot analysis


Bioorg Med Chem 18: 8257-63 (2010)


Article DOI: 10.1016/j.bmc.2010.10.005
BindingDB Entry DOI: 10.7270/Q22807V3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CAM-RNase A


(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
RNAse A


(Homo sapiens (Human))
BDBM50375420
PNG
(CHEMBL266234)
Show SMILES CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H16N2O6/c1-6-4-14(12(18)13-11(6)17)10-3-8(19-7(2)16)9(5-15)20-10/h4,8-10,15H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
CAM-RNase A


(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)
CAM-RNase A


(Bison bison (American bison))
BDBM50331791
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1
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6.70E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine pancreatic RNase A ribonucleolytic activity of by Dixon plot analysis


Bioorg Med Chem 18: 8257-63 (2010)


Article DOI: 10.1016/j.bmc.2010.10.005
BindingDB Entry DOI: 10.7270/Q22807V3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CAM-RNase A


(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)
CAM-RNase A


(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)
RNAse A


(Homo sapiens (Human))
BDBM111444
PNG
(Ser-aT (Compound 2))
Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(N)CO)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H20N4O6/c1-6-3-17(13(22)16-11(6)20)10-2-8(9(5-19)23-10)15-12(21)7(14)4-18/h3,7-10,18-19H,2,4-5,14H2,1H3,(H,15,21)(H,16,20,22)/t7?,8-,9-,10-/m1/s1
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8.00E+4n/an/an/an/an/an/an/an/a



SASTRA University, Thanjavur, Tamil Nadu 613401, India





Bioorg Chem 52: 56-61 (2014)


Article DOI: 10.1016/j.bioorg.2013.11.005
BindingDB Entry DOI: 10.7270/Q2MP51ZZ
More data for this
Ligand-Target Pair
CAM-RNase A


(Bison bison (American bison))
BDBM50298713
PNG
(2',3'-Dideoxy-3'-L-serinylamino thymidine | CHEMBL...)
Show SMILES Cc1cn(C[C@H]2C[C@H](NC(=O)C(N)CO)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H22N4O6/c1-7-3-18(14(23)17-12(7)21)4-8-2-10(11(6-20)24-8)16-13(22)9(15)5-19/h3,8-11,19-20H,2,4-6,15H2,1H3,(H,16,22)(H,17,21,23)/t8-,9?,10+,11-/m1/s1
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8.00E+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 assay


Bioorg Med Chem 17: 4921-7 (2009)


Article DOI: 10.1016/j.bmc.2009.06.002
BindingDB Entry DOI: 10.7270/Q2XW4JV9
More data for this
Ligand-Target Pair
CAM-RNase A


(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 (crystal)
CAM-RNase A


(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
CAM-RNase A


(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
CAM-RNase A


(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
RNAse A


(Homo sapiens (Human))
BDBM50375419
PNG
(CHEMBL259808)
Show SMILES Cc1cn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14+/m0/s1
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9.50E+4n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
RNAse A


(Homo sapiens (Human))
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
Activity at RNase A


Bioorg Med Chem 16: 2819-28 (2008)


Article DOI: 10.1016/j.bmc.2008.01.003
BindingDB Entry DOI: 10.7270/Q2BK1D72
More data for this
Ligand-Target Pair
CAM-RNase A


(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 (crystal)
CAM-RNase A


(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 assay


Bioorg Med Chem 17: 4921-7 (2009)


Article DOI: 10.1016/j.bmc.2009.06.002
BindingDB Entry DOI: 10.7270/Q2XW4JV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RNAse A


(Homo sapiens (Human))
BDBM50276039
PNG
(1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARAB...)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H]1N1CCC(CC1)C(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/t9-,11-,12+,13-/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 ribonucleolytic activity of RNase A (unknown origin) by agarose gel based assay


Bioorg Med Chem Lett 18: 5503-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.014
BindingDB Entry DOI: 10.7270/Q2SQ907J
More data for this
Ligand-Target Pair
CAM-RNase A


(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)
CAM-RNase A


(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
RNAse A


(Homo sapiens (Human))
BDBM50276040
PNG
(3'-[1-(4-ethoxycarbonylpiperdinyl)]-3'-deoxy-ara-u...)
Show SMILES CCOC(=O)C1CCN(CC1)[C@@H]1[C@@H](CO)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H25N3O7/c1-2-26-16(24)10-3-6-19(7-4-10)13-11(9-21)27-15(14(13)23)20-8-5-12(22)18-17(20)25/h5,8,10-11,13-15,21,23H,2-4,6-7,9H2,1H3,(H,18,22,25)/t11-,13-,14+,15-/m1/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ribonucleolytic activity of RNase A (unknown origin) by agarose gel based assay


Bioorg Med Chem Lett 18: 5503-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.014
BindingDB Entry DOI: 10.7270/Q2SQ907J
More data for this
Ligand-Target Pair
CAM-RNase A


(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)
RNAse A


(Homo sapiens (Human))
BDBM50304292
PNG
(2-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-di...)
Show SMILES Cc1cn([C@H]2C[C@H](NC(=O)C(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H15N3O7/c1-5-3-15(12(21)14-9(5)17)8-2-6(7(4-16)22-8)13-10(18)11(19)20/h3,6-8,16H,2,4H2,1H3,(H,13,18)(H,19,20)(H,14,17,21)/t6-,7+,8+/m0/s1
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1.32E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of RNase A using dixon plot by spectrophotometric method


Bioorg Med Chem 17: 6491-5 (2009)


Article DOI: 10.1016/j.bmc.2009.08.018
BindingDB Entry DOI: 10.7270/Q2XG9R61
More data for this
Ligand-Target Pair
RNAse A


(Homo sapiens (Human))
BDBM111446
PNG
(N-[2-Hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihyd...)
Show SMILES Cc1cn([C@H]2C[C@@H](NC(=O)C(O)=O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H15N3O7/c1-5-3-15(12(21)14-9(5)17)8-2-6(7(4-16)22-8)13-10(18)11(19)20/h3,6-8,16H,2,4H2,1H3,(H,13,18)(H,19,20)(H,14,17,21)/t6-,7-,8-/m1/s1
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1.32E+5n/an/an/an/an/an/an/an/a



SASTRA University, Thanjavur, Tamil Nadu 613401, India





Bioorg Chem 52: 56-61 (2014)


Article DOI: 10.1016/j.bioorg.2013.11.005
BindingDB Entry DOI: 10.7270/Q2MP51ZZ
More data for this
Ligand-Target Pair
CAM-RNase A


(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
CAM-RNase A


(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)
CAM-RNase A


(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
CAM-RNase A


(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)
CAM-RNase A


(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)
CAM-RNase A


(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)
CAM-RNase A


(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
CAM-RNase A


(Bison bison (American bison))
BDBM50331792
PNG
(5'-Carboxy thymidine | CHEMBL1288589)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@H](O2)C(O)=O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H12N2O6/c1-4-3-12(10(17)11-8(4)14)6-2-5(13)7(18-6)9(15)16/h3,5-7,13H,2H2,1H3,(H,15,16)(H,11,14,17)/t5-,6+,7-/m0/s1
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1.93E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine pancreatic RNase A ribonucleolytic activity of by Dixon plot analysis


Bioorg Med Chem 18: 8257-63 (2010)


Article DOI: 10.1016/j.bmc.2010.10.005
BindingDB Entry DOI: 10.7270/Q22807V3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CAM-RNase A


(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
CAM-RNase A


(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)
CAM-RNase A


(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)
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