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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'izumikawa' and Initial = 'm'   
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
Proteasome assembly chaperone 3


(Homo sapiens (Human))
BDBM50520988
PNG
(CHEMBL4435319)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(O)=O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C53H58O17/c1-19-23(5)41(30(12)44(63-15)34(19)49(56)57)69-52(61)36-21(3)25(7)40(29(11)46(36)65-17)67-48-27(9)33(38(54)28(10)39(48)55)51(60)68-43-26(8)22(4)37(47(66-18)32(43)14)53(62)70-42-24(6)20(2)35(50(58)59)45(64-16)31(42)13/h54-55H,1-18H3,(H,56,57)(H,58,59)
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n/an/a 20n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of PAC3 homodimer (unknown origin) protein-protein interaction


Bioorg Med Chem 26: 6023-6034 (2018)


Article DOI: 10.1016/j.bmc.2018.11.001
BindingDB Entry DOI: 10.7270/Q24X5C69
More data for this
Ligand-Target Pair
Proteasome assembly chaperone 3


(Homo sapiens (Human))
BDBM50316413
PNG
((S)-2-hydroxy-2-(((S,E)-4-(hydroxy((1R,2R,4aS,8aR)...)
Show SMILES CC(C)[C@@](O)(C[C@@H]1N(C)C(=O)C(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@@H]23)C1=O)C(O)=O |r,c:17|
Show InChI InChI=1S/C23H33NO6/c1-12(2)23(30,22(28)29)11-16-19(25)18(21(27)24(16)4)20(26)17-13(3)9-10-14-7-5-6-8-15(14)17/h9-10,12-18,30H,5-8,11H2,1-4H3,(H,28,29)/t13-,14+,15-,16+,17-,18?,23+/m1/s1
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Biomedicinal Information Research Center (BIRC)

Curated by ChEMBL


Assay Description
Inhibition of PAC3 homodimerization by protein fragment complementation assay


J Nat Prod 73: 628-31 (2010)


Article DOI: 10.1021/np900788e
BindingDB Entry DOI: 10.7270/Q2M61KD2
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50384889
PNG
(CHEMBL2036061)
Show SMILES CCCC=C(C)c1cc(O)c2C[C@H]3[C@@](C)(CC[C@H]4O[C@H](CC[C@]34C)C(C)(O)C(O)=O)Oc2c1O |r,w:3.2|
Show InChI InChI=1S/C27H38O7/c1-6-7-8-15(2)16-13-18(28)17-14-19-25(3)11-9-21(27(5,32)24(30)31)33-20(25)10-12-26(19,4)34-23(17)22(16)29/h8,13,19-21,28-29,32H,6-7,9-12,14H2,1-5H3,(H,30,31)/t19-,20-,21-,25-,26-,27?/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Biomedicinal Information Research Center (BIRC)

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 using 3'-phosphate-(4-methylumbelliferone)-thymidine as substrate after 180 mins by spectrophotometry


J Nat Prod 75: 764-7 (2012)


Article DOI: 10.1021/np2007389
BindingDB Entry DOI: 10.7270/Q2V9893K
More data for this
Ligand-Target Pair
Proteasome assembly chaperone 3


(Homo sapiens (Human))
BDBM50520987
PNG
(CHEMBL4447106)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(OC)c5C)c(C)c(C)c4O)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C64H70O18/c1-24-22-43(65)41(35(12)44(24)61(71)79-53-33(10)28(5)48(57(77-20)39(53)16)63(73)81-51-31(8)26(3)46(59(67)68)55(75-18)37(51)14)23-42-36(13)45(25(2)30(7)50(42)66)62(72)80-54-34(11)29(6)49(58(78-21)40(54)17)64(74)82-52-32(9)27(4)47(60(69)70)56(76-19)38(52)15/h22,65-66H,23H2,1-21H3,(H,67,68)(H,69,70)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of PAC3 homodimer (unknown origin) protein-protein interaction


Bioorg Med Chem 26: 6023-6034 (2018)


Article DOI: 10.1016/j.bmc.2018.11.001
BindingDB Entry DOI: 10.7270/Q24X5C69
More data for this
Ligand-Target Pair
Proteasome assembly chaperone 1/2


(Homo sapiens)
BDBM50520988
PNG
(CHEMBL4435319)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(O)=O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C53H58O17/c1-19-23(5)41(30(12)44(63-15)34(19)49(56)57)69-52(61)36-21(3)25(7)40(29(11)46(36)65-17)67-48-27(9)33(38(54)28(10)39(48)55)51(60)68-43-26(8)22(4)37(47(66-18)32(43)14)53(62)70-42-24(6)20(2)35(50(58)59)45(64-16)31(42)13/h54-55H,1-18H3,(H,56,57)(H,58,59)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of PAC1/PAC2 heterodimer (unknown origin) protein-protein interaction


Bioorg Med Chem 26: 6023-6034 (2018)


Article DOI: 10.1016/j.bmc.2018.11.001
BindingDB Entry DOI: 10.7270/Q24X5C69
More data for this
Ligand-Target Pair
Proteasome assembly chaperone 3


(Homo sapiens (Human))
BDBM50520986
PNG
(CHEMBL4466606)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)[C@@]4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(O)=O |r,c:18|
Show InChI InChI=1S/C54H60O18/c1-20-23(4)38(27(8)42(65-15)33(20)47(56)57)69-49(60)35-22(3)25(6)40(29(10)44(35)67-17)71-51(62)37-31(12)53(14,63)54(64)52(13,46(37)55)19-32-26(7)36(45(68-18)30(11)41(32)72-54)50(61)70-39-24(5)21(2)34(48(58)59)43(66-16)28(39)9/h63-64H,19H2,1-18H3,(H,56,57)(H,58,59)/t52-,53+,54-/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of PAC3 homodimer (unknown origin) protein-protein interaction


Bioorg Med Chem 26: 6023-6034 (2018)


Article DOI: 10.1016/j.bmc.2018.11.001
BindingDB Entry DOI: 10.7270/Q24X5C69
More data for this
Ligand-Target Pair