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BDBM50900 (1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester::MLS000552598::SMR000146113::cid_9551790::ethyl (1S,3R,8aS)-3-aminocarbonyl-1-cyano-2-(3,4-dichlorophenyl)-6-ethanoyl-3,8a-dihydro-2H-indolizine-1-carboxylate::ethyl (1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate

SMILES: CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C1c1ccc(Cl)c(Cl)c1)C(N)=O)C(C)=O

InChI Key: InChIKey=SHYFJMRMOTUTMX-HDLAMYINSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50900   
Target
(Institution)
LigandTarget
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM50900
PNG
((1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-di...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C1c1ccc(Cl)c(Cl)c1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C21H19Cl2N3O4/c1-3-30-20(29)21(10-24)16-7-5-13(11(2)27)9-26(16)18(19(25)28)17(21)12-4-6-14(22)15(23)8-12/h4-9,16-18H,3H2,1-2H3,(H2,25,28)/t16-,17?,18+,21+/m0/s1
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 3.12E+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)

More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM50900
PNG
((1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-di...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C1c1ccc(Cl)c(Cl)c1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C21H19Cl2N3O4/c1-3-30-20(29)21(10-24)16-7-5-13(11(2)27)9-26(16)18(19(25)28)17(21)12-4-6-14(22)15(23)8-12/h4-9,16-18H,3H2,1-2H3,(H2,25,28)/t16-,17?,18+,21+/m0/s1
KEGG

GoogleScholar
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UniChem

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PCBioAssay
n/an/an/an/a 5.57E+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)

More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM50900
PNG
((1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-di...)
Show SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C1c1ccc(Cl)c(Cl)c1)C(N)=O)C(C)=O |c:9,11|
Show InChI InChI=1S/C21H19Cl2N3O4/c1-3-30-20(29)21(10-24)16-7-5-13(11(2)27)9-26(16)18(19(25)28)17(21)12-4-6-14(22)15(23)8-12/h4-9,16-18H,3H2,1-2H3,(H2,25,28)/t16-,17?,18+,21+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

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PCBioAssay
n/an/an/an/a 2.40E+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)

More data for this
Ligand-Target Pair