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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'murillo' and Initial = 'r'   
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
Nitric oxide synthase, inducible


(Rattus norvegicus)
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4|
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Instituto Cajal (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of rat iNOS


Eur J Med Chem 54: 439-46 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.031
BindingDB Entry DOI: 10.7270/Q2NC6280
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4|
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Instituto Cajal (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human iNOS


Eur J Med Chem 54: 439-46 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.031
BindingDB Entry DOI: 10.7270/Q2NC6280
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4|
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Instituto Cajal (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS activity assessed as conversion of [14C]-L-arginine to [14C]-L-citrulline by liquid scintillation counting


Eur J Med Chem 54: 439-46 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.031
BindingDB Entry DOI: 10.7270/Q2NC6280
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420343
PNG
(CHEMBL2089170)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C24H32N4O4/c1-16(2)13-20(26-22(29)19(25)14-17-9-5-3-6-10-17)23(30)27-21(24(31)28-32)15-18-11-7-4-8-12-18/h3-12,16,19-21,32H,13-15,25H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)/t19-,20-,21-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of p38alpha after 1 hr by ELISA


J Nat Prod 73: 2035-41 (2010)


Article DOI: 10.1021/np100523s
BindingDB Entry DOI: 10.7270/Q29P31XZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 2.21E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of p38alpha after 1 hr by ELISA


J Nat Prod 73: 2035-41 (2010)


Article DOI: 10.1021/np100523s
BindingDB Entry DOI: 10.7270/Q29P31XZ
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420344
PNG
(CHEMBL2089172)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#8] |r|
Show InChI InChI=1S/C21H35N7O4/c1-13(2)11-17(27-18(29)15(22)12-14-7-4-3-5-8-14)19(30)26-16(20(31)28-32)9-6-10-25-21(23)24/h3-5,7-8,13,15-17,32H,6,9-12,22H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)(H4,23,24,25)/t15-,16-,17-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2


(Rattus norvegicus)
BDBM50409816
PNG
(ABAMECTIN)
Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|
Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
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n/an/a 6.72E+3n/an/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat heart SERCA2a after 1 hr


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
ATPase (Na+, K+)


(RAT)
BDBM50409816
PNG
(ABAMECTIN)
Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|
Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
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n/an/a 8.23E+3n/an/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat kidney Na+,K+-ATPase alpha1 after 2 hrs


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1


(Rattus norvegicus)
BDBM50409816
PNG
(ABAMECTIN)
Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|
Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat EDL muscle SERCA1a after 1 hr


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420345
PNG
(CHEMBL2089171)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NO |r|
Show InChI InChI=1S/C24H32N4O5/c1-15(2)12-20(26-22(30)19(25)13-16-6-4-3-5-7-16)23(31)27-21(24(32)28-33)14-17-8-10-18(29)11-9-17/h3-11,15,19-21,29,33H,12-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t19-,20-,21-/m0/s1
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n/an/a 3.09E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420346
PNG
(CHEMBL2089166)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C26H33N5O4/c1-16(2)12-22(25(33)30-23(26(34)31-35)13-17-8-4-3-5-9-17)29-24(32)20(27)14-18-15-28-21-11-7-6-10-19(18)21/h3-11,15-16,20,22-23,28,35H,12-14,27H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/t20-,22-,23-/m0/s1
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n/an/a 3.42E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50260057
PNG
((-)-4'-O-methylepigallocatechin | CHEMBL485460 | o...)
Show SMILES COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O |r|
Show InChI InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15-/m1/s1
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n/an/a 3.92E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of p38alpha after 1 hr by ELISA


J Nat Prod 73: 2035-41 (2010)


Article DOI: 10.1021/np100523s
BindingDB Entry DOI: 10.7270/Q29P31XZ
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420347
PNG
(CHEMBL2089168)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H33N5O5/c1-15(2)11-22(25(34)30-23(26(35)31-36)12-16-7-9-18(32)10-8-16)29-24(33)20(27)13-17-14-28-21-6-4-3-5-19(17)21/h3-10,14-15,20,22-23,28,32,36H,11-13,27H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t20-,22-,23-/m0/s1
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n/an/a 4.62E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50335606
PNG
(4',3''-Di-O-methylapocynin-B | CHEMBL1651277)
Show SMILES COc1cc(ccc1O)[C@H]1CC(=O)Oc2cc(O)c3C[C@H](O)[C@H](Oc3c12)c1cc(O)c(OC)c(O)c1 |r|
Show InChI InChI=1S/C26H24O10/c1-33-20-7-11(3-4-15(20)27)13-9-22(32)35-21-10-16(28)14-8-19(31)24(36-25(14)23(13)21)12-5-17(29)26(34-2)18(30)6-12/h3-7,10,13,19,24,27-31H,8-9H2,1-2H3/t13-,19+,24-/m1/s1
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n/an/a 5.08E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of p38alpha after 1 hr by ELISA


J Nat Prod 73: 2035-41 (2010)


Article DOI: 10.1021/np100523s
BindingDB Entry DOI: 10.7270/Q29P31XZ
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420356
PNG
(NC 150 | PHENAZOPYRIDINE HYDROCHLORIDE)
Show SMILES Nc1ccc(\N=N\c2ccccc2)c(N)n1
Show InChI InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+
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n/an/a 5.43E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420348
PNG
(CHEMBL2089167)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NO |r|
Show InChI InChI=1S/C23H31N7O4/c1-13(2)7-19(22(32)29-20(23(33)30-34)9-15-11-25-12-27-15)28-21(31)17(24)8-14-10-26-18-6-4-3-5-16(14)18/h3-6,10-13,17,19-20,26,34H,7-9,24H2,1-2H3,(H,25,27)(H,28,31)(H,29,32)(H,30,33)/t17-,19-,20-/m0/s1
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n/an/a 5.84E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
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n/an/a 7.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420350
PNG
(Actin-N | Furacilin | Furacin | Furazone | NITROFU...)
Show SMILES NC(=O)NN=Cc1ccc(o1)[N+]([O-])=O |w:5.5|
Show InChI InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)
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n/an/a 8.81E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50292332
PNG
(2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]i...)
Show SMILES COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
Show InChI InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
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n/an/a 9.33E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420351
PNG
(CHEMBL2089173)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NO |r|
Show InChI InChI=1S/C21H30N6O4/c1-13(2)8-17(25-19(28)16(22)9-14-6-4-3-5-7-14)20(29)26-18(21(30)27-31)10-15-11-23-12-24-15/h3-7,11-13,16-18,31H,8-10,22H2,1-2H3,(H,23,24)(H,25,28)(H,26,29)(H,27,30)/t16-,17-,18-/m0/s1
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n/an/a 1.08E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420352
PNG
(CHEMBL2089169)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NO |r,wU:8.8,23.24,wD:4.4,(35.38,-7.62,;35.4,-6.09,;36.73,-5.32,;34.06,-5.3,;34.08,-3.76,;32.75,-2.98,;31.41,-3.74,;31.4,-5.28,;30.09,-2.96,;28.74,-3.72,;30.1,-1.42,;31.34,-.51,;32.81,-.98,;33.71,.26,;32.8,1.51,;33.12,3.01,;31.98,4.04,;30.52,3.56,;30.2,2.06,;31.34,1.03,;35.42,-3,;35.43,-1.47,;36.75,-3.78,;38.09,-3.03,;38.1,-1.49,;39.44,-.72,;39.45,.81,;40.8,1.57,;40.81,3.11,;39.48,3.9,;42.15,3.88,;39.41,-3.81,;39.4,-5.34,;40.75,-3.05,;40.77,-1.51,)|
Show InChI InChI=1S/C23H36N8O4/c1-13(2)10-19(21(33)29-18(22(34)31-35)8-5-9-27-23(25)26)30-20(32)16(24)11-14-12-28-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,28,35H,5,8-11,24H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)(H4,25,26,27)/t16-,18-,19-/m0/s1
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n/an/a 2.17E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420353
PNG
(CHEMBL2089159)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C26H33N5O4/c1-15(2)11-23(26(35)30-22(24(28)33)12-16-7-9-18(32)10-8-16)31-25(34)20(27)13-17-14-29-21-6-4-3-5-19(17)21/h3-10,14-15,20,22-23,29,32H,11-13,27H2,1-2H3,(H2,28,33)(H,30,35)(H,31,34)/t20-,22-,23-/m0/s1
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n/an/a 4.02E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420357
PNG
(CHEMBL2089162)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C24H32N4O3/c1-16(2)13-21(28-23(30)19(25)14-17-9-5-3-6-10-17)24(31)27-20(22(26)29)15-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15,25H2,1-2H3,(H2,26,29)(H,27,31)(H,28,30)/t19-,20-,21-/m0/s1
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n/an/a 8.25E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420354
PNG
(CHEMBL2089158)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C26H33N5O3/c1-16(2)12-23(26(34)30-22(24(28)32)13-17-8-4-3-5-9-17)31-25(33)20(27)14-18-15-29-21-11-7-6-10-19(18)21/h3-11,15-16,20,22-23,29H,12-14,27H2,1-2H3,(H2,28,32)(H,30,34)(H,31,33)/t20-,22-,23-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50420355
PNG
(CHEMBL2089163)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C24H32N4O4/c1-15(2)12-21(28-23(31)19(25)13-16-6-4-3-5-7-16)24(32)27-20(22(26)30)14-17-8-10-18(29)11-9-17/h3-11,15,19-21,29H,12-14,25H2,1-2H3,(H2,26,30)(H,27,32)(H,28,31)/t19-,20-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


ACS Med Chem Lett 3: 540-543 (2012)


Article DOI: 10.1021/ml300068r
BindingDB Entry DOI: 10.7270/Q2542PVS
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097525
PNG
(CHEMBL3586099)
Show SMILES [H][C@@]12C[C@@H](OC)C=C3[C@@H](O)O[C@@H](O)[C@@]13[C@@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C |r,t:6|
Show InChI InChI=1/C21H32O6/c1-6-11(2)7-8-20(4)12(3)16(22)17(23)21-14(18(24)27-19(21)25)9-13(26-5)10-15(20)21/h6-7,9,12-13,15-19,22-25H,1,8,10H2,2-5H3/b11-7+/t12-,13+,15+,16-,17+,18+,19-,20-,21-/s2
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Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50035612
PNG
(CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20|
Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097535
PNG
(CHEMBL3125414)
Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)C[C@@H](O)C(=C)C=C)OC(=O)CC(O)CCCCCCCCC |r,t:5|
Show InChI InChI=1/C36H56O10/c1-8-10-11-12-13-14-15-16-26(39)20-32(42)45-31-17-23(4)35(7,21-29(41)22(3)9-2)30-19-27(40)18-28-33(43-24(5)37)46-34(36(28,30)31)44-25(6)38/h9,18,23,26-27,29-31,33-34,39-41H,2-3,8,10-17,19-21H2,1,4-7H3/t23-,26?,27+,29-,30+,31+,33+,34-,35-,36-/s2
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n/an/an/a 3.15E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097547
PNG
(CHEMBL3125413)
Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)CCC(=C)C=C)OC(=O)CC(O)CCCCCCCCC |r,t:5|
Show InChI InChI=1S/C22H16F3N3O2/c1-27-19-17(20(29)28(21(27)30)13-14-7-3-2-4-8-14)11-15(12-26-19)16-9-5-6-10-18(16)22(23,24)25/h2-12H,13H2,1H3
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n/an/an/a 7.50E+3n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097548
PNG
(CHEMBL3586098)
Show SMILES [H][C@@]12CC(=O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13CC[C@@H](C)[C@@]2(C)C\C=C(/C)C=C |r,t:5|
Show InChI InChI=1S/C21H16FN3O2/c1-24-19-18(16(11-12-23-19)15-9-5-6-10-17(15)22)20(26)25(21(24)27)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
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n/an/an/a 9.65E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097549
PNG
(CHEMBL3586097)
Show SMILES [H][C@@]12C[C@H](CC3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13CC[C@@H](C)[C@@]2(C)CCC(=C)C=C)OC(C)=O |r|
Show InChI InChI=1S/C23H21N3O3/c1-25-21-20(22(27)26(23(25)28)14-17-8-4-2-5-9-17)12-19(13-24-21)16-29-15-18-10-6-3-7-11-18/h2-13H,14-16H2,1H3
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n/an/an/a 1.03E+5n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097550
PNG
(CHEMBL3125412)
Show SMILES [H][C@@]12C[C@H](OC(=O)\C=C\c3ccccc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=C)C=C |r,t:16|
Show InChI InChI=1S/C21H16ClN3O2/c1-24-19-18(11-16(12-23-19)15-7-9-17(22)10-8-15)20(26)25(21(24)27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
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n/an/an/a 3.21E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097551
PNG
(CHEMBL3125420)
Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)CCC(=C)C=C)OC(=O)\C=C\c1ccccc1 |r,t:5|
Show InChI InChI=1S/C23H21N3O3/c1-3-29-19-11-9-17(10-12-19)18-13-20-21(24-14-18)25(2)23(28)26(22(20)27)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3
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n/an/an/a 4.81E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097552
PNG
(CHEMBL3125415)
Show SMILES [H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)CCC1=CCOOC1)OC(=O)\C=C\c1ccccc1 |r,t:5,30|
Show InChI InChI=1S/C21H16FN3O2/c1-24-19-18(17(11-12-23-19)15-7-9-16(22)10-8-15)20(26)25(21(24)27)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
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n/an/an/a 2.23E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097553
PNG
(CHEMBL3586096)
Show SMILES [H][C@@]12C[C@@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O |r,t:15|
Show InChI InChI=1S/C22H19N3O3/c1-24-20-19(12-17(13-23-20)15-28-18-10-6-3-7-11-18)21(26)25(22(24)27)14-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3
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n/an/an/a 2.01E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097554
PNG
(CASEARBORIN D | Casearborin D)
Show SMILES [H][C@@]12C[C@@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C |r,t:15|
Show InChI InChI=1S/C21H17N3O2/c1-23-19-18(17(12-13-22-19)16-10-6-3-7-11-16)20(25)24(21(23)26)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
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n/an/an/a 2.00E+3n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097557
PNG
(CHEMBL3586100)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]11CO[C@@]22C=C[C@]3([H])[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]2(C)C[C@H]1O |r,c:14|
Show InChI InChI=1S/C23H21N3O3/c1-16-19(29-15-18-11-7-4-8-12-18)13-24-21-20(16)22(27)26(23(28)25(21)2)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3
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n/an/an/a 5.00E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit hind leg muscle SERCA1a by pyruvate kinase and lactate dehydrogenase coupled assay


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097555
PNG
(CHEMBL3586095)
Show SMILES [H][C@@]12C[C@@H](OC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@@]13[C@@H](O)[C@H](OC(=O)CCC)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C |r,t:6|
Show InChI InChI=1S/C22H19N3O2/c1-24-20-19(13-18(14-23-20)12-16-8-4-2-5-9-16)21(26)25(22(24)27)15-17-10-6-3-7-11-17/h2-11,13-14H,12,15H2,1H3
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n/an/an/a 1.01E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric ana...


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50097556
PNG
(ALISOL B | Alisol B | CHEBI:81104)
Show SMILES [H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1 |r,c:12|
Show InChI InChI=1S/C19H21N3O3/c1-4-10-25-15-11-20-17-16(13(15)2)18(23)22(19(24)21(17)3)12-14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3
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n/an/an/a 2.70E+4n/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to rabbit hind leg muscle SERCA1a by pyruvate kinase and lactate dehydrogenase coupled assay


J Nat Prod 78: 1262-70 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00062
BindingDB Entry DOI: 10.7270/Q2833TR2
More data for this
Ligand-Target Pair