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BDBM42783 MLS000065653::N-(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide::N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-oxolanecarboxamide::N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide::N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)tetrahydrofuran-2-carboxamide::N-[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]tetrahydro-2-furancarboxamide::SMR000080296::cid_2970466

SMILES: NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCc12

InChI Key: InChIKey=RFMLAKZJWGLPEF-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 = 42783   
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
Factor XIIa


(Homo sapiens (Human))
BDBM42783
PNG
(MLS000065653 | N-(3-aminocarbonyl-5,6-dihydro-4H-c...)
Show SMILES NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCc12
Show InChI InChI=1S/C13H16N2O3S/c14-11(16)10-7-3-1-5-9(7)19-13(10)15-12(17)8-4-2-6-18-8/h8H,1-6H2,(H2,14,16)(H,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42783
PNG
(MLS000065653 | N-(3-aminocarbonyl-5,6-dihydro-4H-c...)
Show SMILES NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCc12
Show InChI InChI=1S/C13H16N2O3S/c14-11(16)10-7-3-1-5-9(7)19-13(10)15-12(17)8-4-2-6-18-8/h8H,1-6H2,(H2,14,16)(H,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair