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BDBM64849 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(2-pyridyl)thiazol-2-yl]pyrrolidine-3-carboxamide::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide::1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(2-pyridinyl)-2-thiazolyl]-3-pyrrolidinecarboxamide::MLS000394395::SMR000261836::cid_5033819

SMILES: O=C(Nc1nc(cs1)-c1ccccn1)C1CN(C(=O)C1)c1ccc2OCCOc2c1

InChI Key: InChIKey=IANKKUUQOWXLNS-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 64849   
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
BZLF1


(Human herpesvirus 4)
BDBM64849
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccn1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H18N4O4S/c26-19-9-13(11-25(19)14-4-5-17-18(10-14)29-8-7-28-17)20(27)24-21-23-16(12-30-21)15-3-1-2-6-22-15/h1-6,10,12-13H,7-9,11H2,(H,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM64849
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccn1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H18N4O4S/c26-19-9-13(11-25(19)14-4-5-17-18(10-14)29-8-7-28-17)20(27)24-21-23-16(12-30-21)15-3-1-2-6-22-15/h1-6,10,12-13H,7-9,11H2,(H,23,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair