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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'subba reddy' 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
Catalase


(Rattus norvegicus)
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/an/an/a 1.76E+4n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480884
PNG
(CHEMBL568258)
Show SMILES [H][C@]12C[C@@H](OP(=O)(Oc3ccc(cc3)[N+]([O-])=O)OP(O)(O)=O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:23|
Show InChI InChI=1S/C23H26N2O11P2/c1-24-12-11-23-10-9-18(13-20(23)33-22-19(32-2)8-3-15(14-24)21(22)23)35-38(31,36-37(28,29)30)34-17-6-4-16(5-7-17)25(26)27/h3-10,18,20H,11-14H2,1-2H3,(H2,28,29,30)/t18-,20-,23-,38?/m0/s1
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n/an/an/an/a 5.13E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480874
PNG
(CHEMBL573508)
Show SMILES [H][C@]12C[C@@H](OP(=O)(NCCO)N(CCCl)CCCl)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:18|
Show InChI InChI=1S/C23H34Cl2N3O5P/c1-27-11-7-23-6-5-18(33-34(30,26-10-14-29)28(12-8-24)13-9-25)15-20(23)32-22-19(31-2)4-3-17(16-27)21(22)23/h3-6,18,20,29H,7-16H2,1-2H3,(H,26,30)/t18-,20-,23-,34?/m0/s1
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n/an/an/an/a 2.84E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480875
PNG
(CHEMBL578637)
Show SMILES [H][C@]12C[C@@H](OP(=O)(SCCO)N(CCCl)CCCl)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:18|
Show InChI InChI=1S/C23H33Cl2N2O5PS/c1-26-10-7-23-6-5-18(32-33(29,34-14-13-28)27(11-8-24)12-9-25)15-20(23)31-22-19(30-2)4-3-17(16-26)21(22)23/h3-6,18,20,28H,7-16H2,1-2H3/t18-,20-,23-,33?/m0/s1
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n/an/an/an/a 3.02E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480876
PNG
(CHEMBL565445)
Show SMILES [H][C@]12C[C@@H](OP(=O)(NCCN)N(CCCl)CCCl)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:18|
Show InChI InChI=1S/C23H35Cl2N4O4P/c1-28-12-7-23-6-5-18(33-34(30,27-11-10-26)29(13-8-24)14-9-25)15-20(23)32-22-19(31-2)4-3-17(16-28)21(22)23/h3-6,18,20H,7-16,26H2,1-2H3,(H,27,30)/t18-,20-,23-,34?/m0/s1
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n/an/an/an/a 5.11E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480877
PNG
(CHEMBL575911)
Show SMILES [H][C@]12C[C@@H](OP(=O)(NCCO)Oc3ccc(cc3)[N+]([O-])=O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:22|
Show InChI InChI=1S/C25H30N3O8P/c1-27-13-11-25-10-9-20(15-22(25)34-24-21(33-2)8-3-17(16-27)23(24)25)36-37(32,26-12-14-29)35-19-6-4-18(5-7-19)28(30)31/h3-10,20,22,29H,11-16H2,1-2H3,(H,26,32)/t20-,22-,25-,37?/m0/s1
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n/an/an/an/a 9.29E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480878
PNG
(CHEMBL575287)
Show SMILES [H][C@]12C[C@@H](OP(=O)(Oc3ccc(cc3)[N+]([O-])=O)SCCN)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:22|
Show InChI InChI=1S/C25H30N3O7PS/c1-27-13-11-25-10-9-20(15-22(25)33-24-21(32-2)8-3-17(16-27)23(24)25)35-36(31,37-14-12-26)34-19-6-4-18(5-7-19)28(29)30/h3-10,20,22H,11-16,26H2,1-2H3/t20-,22-,25-,36?/m0/s1
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n/an/an/an/a 3.70E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50458513
PNG
(Alpha Tocopherol | Aquasol E | CHEBI:18145 | E307 ...)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
Show InChI InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
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n/an/an/an/a 3.43E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50351096
PNG
(ASCORBIC ACID)
Show SMILES OC[C@H](O)[C@H]1OC(=O)C(=O)C1O |r|
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3?,5+/m0/s1
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n/an/an/an/a 7.77E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480879
PNG
(CHEMBL574210)
Show SMILES [H][C@]12C[C@@H](OP(=O)(NCCN)Oc3ccc(cc3)[N+]([O-])=O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:22|
Show InChI InChI=1S/C25H31N4O7P/c1-28-14-11-25-10-9-20(15-22(25)34-24-21(33-2)8-3-17(16-28)23(24)25)36-37(32,27-13-12-26)35-19-6-4-18(5-7-19)29(30)31/h3-10,20,22H,11-16,26H2,1-2H3,(H,27,32)/t20-,22-,25-,37?/m0/s1
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n/an/an/an/a 3.41E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480880
PNG
(CHEMBL575898)
Show SMILES [H][C@]12C[C@@H](OP(=O)(OCCO)Oc3ccc(cc3)[N+]([O-])=O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:22|
Show InChI InChI=1S/C25H29N2O9P/c1-26-12-11-25-10-9-20(15-22(25)34-24-21(32-2)8-3-17(16-26)23(24)25)36-37(31,33-14-13-28)35-19-6-4-18(5-7-19)27(29)30/h3-10,20,22,28H,11-16H2,1-2H3/t20-,22-,25-,37?/m0/s1
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n/an/an/an/a 6.15E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480881
PNG
(CHEMBL573055)
Show SMILES [H][C@]12C[C@@H](OP(=O)(OP(O)(O)=O)N(CCCl)CCCl)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:19|
Show InChI InChI=1S/C21H30Cl2N2O8P2/c1-24-10-7-21-6-5-16(32-34(26,33-35(27,28)29)25(11-8-22)12-9-23)13-18(21)31-20-17(30-2)4-3-15(14-24)19(20)21/h3-6,16,18H,7-14H2,1-2H3,(H2,27,28,29)/t16-,18-,21-,34?/m0/s1
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n/an/an/an/a 3.81E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480882
PNG
(CHEMBL573279)
Show SMILES [H][C@]12C[C@@H](OP(=O)(SCCN)N(CCCl)CCCl)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:18|
Show InChI InChI=1S/C23H34Cl2N3O4PS/c1-27-11-7-23-6-5-18(32-33(29,34-14-10-26)28(12-8-24)13-9-25)15-20(23)31-22-19(30-2)4-3-17(16-27)21(22)23/h3-6,18,20H,7-16,26H2,1-2H3/t18-,20-,23-,33?/m0/s1
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n/an/an/an/a 4.83E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480883
PNG
(CHEMBL590951)
Show SMILES [H][C@]12C[C@@H](OP(=O)(Oc3ccc(cc3)[N+]([O-])=O)SCCO)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:22|
Show InChI InChI=1S/C25H29N2O8PS/c1-26-12-11-25-10-9-20(15-22(25)33-24-21(32-2)8-3-17(16-26)23(24)25)35-36(31,37-14-13-28)34-19-6-4-18(5-7-19)27(29)30/h3-10,20,22,28H,11-16H2,1-2H3/t20-,22-,25-,36?/m0/s1
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n/an/an/an/a 7.74E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair
Catalase


(Rattus norvegicus)
BDBM50480873
PNG
(CHEMBL583114)
Show SMILES [H][C@]12C[C@@H](OP(=O)(OCCO)N(CCCl)CCCl)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 |r,c:18|
Show InChI InChI=1S/C23H33Cl2N2O6P/c1-26-10-7-23-6-5-18(33-34(29,31-14-13-28)27(11-8-24)12-9-25)15-20(23)32-22-19(30-2)4-3-17(16-26)21(22)23/h3-6,18,20,28H,7-16H2,1-2H3/t18-,20-,23-,34?/m0/s1
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n/an/an/an/a 4.12E+3n/an/an/an/a



Sri Venkateswara University

Curated by ChEMBL


Assay Description
Inhibition of catalase in Wistar rat brain


Eur J Med Chem 45: 203-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.045
BindingDB Entry DOI: 10.7270/Q2ZP48X4
More data for this
Ligand-Target Pair