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7 similar compounds to monomer 17341

Compile data set for download or QSAR
Wt: 914.0
BDBM17343
Wt: 1070.2
BDBM50145768
Wt: 430.4
BDBM50226169
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Wt: 430.4
BDBM50226171
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Wt: 754.8
BDBM50226173
Wt: 461.4
BDBM50253261
Wt: 843.9
BDBM50012948
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 17343,50145768,50226169,50226171,50226173,50253261,50012948   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17343
PNG
((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C39H67N11O14/c1-5-20(2)31(49-29(53)18-50-17-9-7-11-25(38(50)62)46-32(56)21(3)41)37(61)43-22(4)33(57)44-24(12-14-28(42)52)35(59)45-23(10-6-8-16-40)34(58)48-27(19-51)36(60)47-26(39(63)64)13-15-30(54)55/h20-27,31,51H,5-19,40-41H2,1-4H3,(H2,42,52)(H,43,61)(H,44,57)(H,45,59)(H,46,56)(H,47,60)(H,48,58)(H,49,53)(H,54,55)(H,63,64)/t20?,21-,22-,23-,24-,25-,26-,27-,31-/m0/s1
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1.53E+4 -6.50n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50253261
PNG
((S)-4-amino-5-((S)-1-((S)-5-amino-1-((S)-1-carboxy...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H31N5O9/c1-8(2)14(18(31)32)23-16(29)10(4-5-12(20)25)21-17(30)11(7-24)22-15(28)9(19)3-6-13(26)27/h8-11,14,24H,3-7,19H2,1-2H3,(H2,20,25)(H,21,30)(H,22,28)(H,23,29)(H,26,27)(H,31,32)/t9-,10-,11-,14-/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to human PSD95 domain PDZ2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay


J Med Chem 51: 6450-9 (2008)


Article DOI: 10.1021/jm800836w
BindingDB Entry DOI: 10.7270/Q22807FQ
More data for this
Ligand-Target Pair
XIAP-BIR3


(Homo sapiens (Human))
BDBM17343
PNG
((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Show SMILES CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C39H67N11O14/c1-5-20(2)31(49-29(53)18-50-17-9-7-11-25(38(50)62)46-32(56)21(3)41)37(61)43-22(4)33(57)44-24(12-14-28(42)52)35(59)45-23(10-6-8-16-40)34(58)48-27(19-51)36(60)47-26(39(63)64)13-15-30(54)55/h20-27,31,51H,5-19,40-41H2,1-4H3,(H2,42,52)(H,43,61)(H,44,57)(H,45,59)(H,46,56)(H,47,60)(H,48,58)(H,49,53)(H,54,55)(H,63,64)/t20?,21-,22-,23-,24-,25-,26-,27-,31-/m0/s1
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3.98E+4 -5.94n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50253261
PNG
((S)-4-amino-5-((S)-1-((S)-5-amino-1-((S)-1-carboxy...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H31N5O9/c1-8(2)14(18(31)32)23-16(29)10(4-5-12(20)25)21-17(30)11(7-24)22-15(28)9(19)3-6-13(26)27/h8-11,14,24H,3-7,19H2,1-2H3,(H2,20,25)(H,21,30)(H,22,28)(H,23,29)(H,26,27)(H,31,32)/t9-,10-,11-,14-/m0/s1
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5.70E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to human PSD95 domain PDZ1 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay


J Med Chem 51: 6450-9 (2008)


Article DOI: 10.1021/jm800836w
BindingDB Entry DOI: 10.7270/Q22807FQ
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50145768
PNG
(AVPIAQKSEK | CHEMBL414396)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C47H83N13O15/c1-7-25(4)37(59-44(71)33-15-12-22-60(33)46(73)36(24(2)3)58-38(65)26(5)50)45(72)52-27(6)39(66)53-29(16-18-34(51)62)41(68)54-28(13-8-10-20-48)40(67)57-32(23-61)43(70)55-30(17-19-35(63)64)42(69)56-31(47(74)75)14-9-11-21-49/h24-33,36-37,61H,7-23,48-50H2,1-6H3,(H2,51,62)(H,52,72)(H,53,66)(H,54,68)(H,55,70)(H,56,69)(H,57,67)(H,58,65)(H,59,71)(H,63,64)(H,74,75)/t25-,26-,27-,28-,29-,30-,31-,32-,33+,36-,37-/m0/s1
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n/an/an/a 240n/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Dissociation constant for XIAP BIR3 protein


J Med Chem 47: 2430-40 (2004)


Article DOI: 10.1021/jm030420+
BindingDB Entry DOI: 10.7270/Q2Q81DT0
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50145768
PNG
(AVPIAQKSEK | CHEMBL414396)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C47H83N13O15/c1-7-25(4)37(59-44(71)33-15-12-22-60(33)46(73)36(24(2)3)58-38(65)26(5)50)45(72)52-27(6)39(66)53-29(16-18-34(51)62)41(68)54-28(13-8-10-20-48)40(67)57-32(23-61)43(70)55-30(17-19-35(63)64)42(69)56-31(47(74)75)14-9-11-21-49/h24-33,36-37,61H,7-23,48-50H2,1-6H3,(H2,51,62)(H,52,72)(H,53,66)(H,54,68)(H,55,70)(H,56,69)(H,57,67)(H,58,65)(H,59,71)(H,63,64)(H,74,75)/t25-,26-,27-,28-,29-,30-,31-,32-,33+,36-,37-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against XIAP BIR3 protein


J Med Chem 47: 2430-40 (2004)


Article DOI: 10.1021/jm030420+
BindingDB Entry DOI: 10.7270/Q2Q81DT0
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50145768
PNG
(AVPIAQKSEK | CHEMBL414396)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C47H83N13O15/c1-7-25(4)37(59-44(71)33-15-12-22-60(33)46(73)36(24(2)3)58-38(65)26(5)50)45(72)52-27(6)39(66)53-29(16-18-34(51)62)41(68)54-28(13-8-10-20-48)40(67)57-32(23-61)43(70)55-30(17-19-35(63)64)42(69)56-31(47(74)75)14-9-11-21-49/h24-33,36-37,61H,7-23,48-50H2,1-6H3,(H2,51,62)(H,52,72)(H,53,66)(H,54,68)(H,55,70)(H,56,69)(H,57,67)(H,58,65)(H,59,71)(H,63,64)(H,74,75)/t25-,26-,27-,28-,29-,30-,31-,32-,33+,36-,37-/m0/s1
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n/an/a 2.83E+3n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against XIAP BIR3 protein


J Med Chem 47: 2430-40 (2004)


Article DOI: 10.1021/jm030420+
BindingDB Entry DOI: 10.7270/Q2Q81DT0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226169
PNG
(CHEMBL261748 | IVAE)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)23-15(9(2)3)18(28)21-11(5)16(26)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,28)(H,22,26)(H,23,27)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1
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n/an/a 4.41E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
BindingDB Entry DOI: 10.7270/Q28P61D2
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226171
PNG
(CHEMBL259240 | IAVE)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)21-11(5)16(26)23-15(9(2)3)18(28)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,27)(H,22,28)(H,23,26)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1
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n/an/a 7.52E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
BindingDB Entry DOI: 10.7270/Q28P61D2
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50226173
PNG
(CHEMBL260510 | IAVPGEVA)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C34H58N8O11/c1-9-18(6)25(35)31(49)37-19(7)28(46)41-27(17(4)5)33(51)42-14-10-11-22(42)30(48)36-15-23(43)39-21(12-13-24(44)45)29(47)40-26(16(2)3)32(50)38-20(8)34(52)53/h16-22,25-27H,9-15,35H2,1-8H3,(H,36,48)(H,37,49)(H,38,50)(H,39,43)(H,40,47)(H,41,46)(H,44,45)(H,52,53)/t18-,19-,20-,21-,22-,25-,26-,27-/m0/s1
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n/an/a 2.01E+5n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226173
PNG
(CHEMBL260510 | IAVPGEVA)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C34H58N8O11/c1-9-18(6)25(35)31(49)37-19(7)28(46)41-27(17(4)5)33(51)42-14-10-11-22(42)30(48)36-15-23(43)39-21(12-13-24(44)45)29(47)40-26(16(2)3)32(50)38-20(8)34(52)53/h16-22,25-27H,9-15,35H2,1-8H3,(H,36,48)(H,37,49)(H,38,50)(H,39,43)(H,40,47)(H,41,46)(H,44,45)(H,52,53)/t18-,19-,20-,21-,22-,25-,26-,27-/m0/s1
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n/an/a 1.52E+5n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
BindingDB Entry DOI: 10.7270/Q28P61D2
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50226169
PNG
(CHEMBL261748 | IVAE)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)23-15(9(2)3)18(28)21-11(5)16(26)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,28)(H,22,26)(H,23,27)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1
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n/an/a 5.27E+4n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50012948
PNG
(CHEMBL3261358)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C37H65N9O13/c1-18(2)16-24(32(53)41-23(10-7-8-14-38)36(57)46-15-9-11-26(46)34(55)45-29(21(6)48)37(58)59)42-33(54)25(17-47)43-35(56)28(19(3)4)44-30(51)20(5)40-31(52)22(39)12-13-27(49)50/h18-26,28-29,47-48H,7-17,38-39H2,1-6H3,(H,40,52)(H,41,53)(H,42,54)(H,43,56)(H,44,51)(H,45,55)(H,49,50)(H,58,59)/t20-,21+,22-,23-,24-,25-,26-,28-,29-/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



Innsbruck Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control


J Med Chem 57: 3235-46 (2014)


Article DOI: 10.1021/jm401605c
BindingDB Entry DOI: 10.7270/Q2028T25
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50226171
PNG
(CHEMBL259240 | IAVE)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)21-11(5)16(26)23-15(9(2)3)18(28)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,27)(H,22,28)(H,23,26)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1
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n/an/a 7.52E+4n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair