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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cytohesin-3' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Cytohesin-3


(Rattus norvegicus)
BDBM50357881
PNG
(CHEMBL1916340)
Show SMILES O[C@H]1[C@@H](OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C22H43N3O20P4S/c26-14(8-4-3-7-13-15-12(11-50-13)24-22(29)25-15)23-9-5-1-2-6-10-41-49(39,40)45-18-16(27)19(42-46(30,31)32)21(44-48(36,37)38)20(17(18)28)43-47(33,34)35/h12-13,15-21,27-28H,1-11H2,(H,23,26)(H,39,40)(H2,24,25,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t12-,13-,15-,16-,17-,18-,19+,20-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 140n/an/an/an/an/a



Kumamoto Health Science University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) after 10 mins by pull-down assay


Citation and Details
More data for this
Ligand-Target Pair
Cytohesin-3


(Rattus norvegicus)
BDBM50357881
PNG
(CHEMBL1916340)
Show SMILES O[C@H]1[C@@H](OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C22H43N3O20P4S/c26-14(8-4-3-7-13-15-12(11-50-13)24-22(29)25-15)23-9-5-1-2-6-10-41-49(39,40)45-18-16(27)19(42-46(30,31)32)21(44-48(36,37)38)20(17(18)28)43-47(33,34)35/h12-13,15-21,27-28H,1-11H2,(H,23,26)(H,39,40)(H2,24,25,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t12-,13-,15-,16-,17-,18-,19+,20-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 300n/an/an/an/an/a



Kumamoto Health Science University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytohesin-3


(Rattus norvegicus)
BDBM50075651
PNG
(1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosph...)
Show SMILES O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Kumamoto Health Science University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) after 10 mins by pull-down assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytohesin-3


(Rattus norvegicus)
BDBM50357883
PNG
(CHEMBL1916342)
Show SMILES O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C22H42N3O17P3S/c26-14(8-4-3-7-13-15-12(11-46-13)24-22(30)25-15)23-9-5-1-2-6-10-39-45(37,38)42-19-16(27)17(28)20(40-43(31,32)33)21(18(19)29)41-44(34,35)36/h12-13,15-21,27-29H,1-11H2,(H,23,26)(H,37,38)(H2,24,25,30)(H2,31,32,33)(H2,34,35,36)/t12-,13-,15-,16-,17+,18+,19-,20-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



Kumamoto Health Science University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytohesin-3


(Rattus norvegicus)
BDBM50357882
PNG
(CHEMBL1916341)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(=O)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C22H42N3O17P3S/c26-14(8-4-3-7-13-15-12(11-46-13)24-22(30)25-15)23-9-5-1-2-6-10-39-45(37,38)42-19-16(27)17(28)20(40-43(31,32)33)21(18(19)29)41-44(34,35)36/h12-13,15-21,27-29H,1-11H2,(H,23,26)(H,37,38)(H2,24,25,30)(H2,31,32,33)(H2,34,35,36)/t12-,13-,15-,16+,17-,18-,19+,20+,21+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



Kumamoto Health Science University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair