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BDBM50778 (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-thienyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester::(1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-thiophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester::MLS000028120::SMR000038911::cid_658017::ethyl (1S,2S,3R,8aS)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate::ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate

SMILES: CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O

InChI Key: InChIKey=WJXIZLBMJFLASA-YIOZNXECSA-N

Data: 3 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50778   
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
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM50778
PNG
((1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-t...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-18(25)19(10-20)14-5-4-12(11(2)23)8-22(14)16(17(21)24)15(19)13-6-7-27-9-13/h4-9,14-16H,3H2,1-2H3,(H2,21,24)/t14-,15-,16+,19+/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

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UniChem

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PCBioAssay
n/an/an/an/a 2.50E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM50778
PNG
((1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-t...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-18(25)19(10-20)14-5-4-12(11(2)23)8-22(14)16(17(21)24)15(19)13-6-7-27-9-13/h4-9,14-16H,3H2,1-2H3,(H2,21,24)/t14-,15-,16+,19+/m0/s1
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 1.23E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50778
PNG
((1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-t...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-18(25)19(10-20)14-5-4-12(11(2)23)8-22(14)16(17(21)24)15(19)13-6-7-27-9-13/h4-9,14-16H,3H2,1-2H3,(H2,21,24)/t14-,15-,16+,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50778
PNG
((1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-t...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-18(25)19(10-20)14-5-4-12(11(2)23)8-22(14)16(17(21)24)15(19)13-6-7-27-9-13/h4-9,14-16H,3H2,1-2H3,(H2,21,24)/t14-,15-,16+,19+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of DYRK2


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM50778
PNG
((1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-t...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C19H19N3O4S/c1-3-26-18(25)19(10-20)14-5-4-12(11(2)23)8-22(14)16(17(21)24)15(19)13-6-7-27-9-13/h4-9,14-16H,3H2,1-2H3,(H2,21,24)/t14-,15-,16+,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 3.83E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair