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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'ohsawa' and Initial = 'k'   
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 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
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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PC cid
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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