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BDBM50549 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester::2-(5-methyl-2-furyl)cinchoninic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester::MLS000516993::SMR000343126::[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate::[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate::cid_5129099

SMILES: CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1

InChI Key: InChIKey=FPTQQAUGYOFOLF-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50549   
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
Kallikrein 7


(Homo sapiens (Human))
BDBM50549
PNG
(2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid ...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
Show InChI InChI=1S/C22H22N2O6S/c1-14-7-8-20(30-14)19-11-17(16-5-3-4-6-18(16)23-19)22(26)29-12-21(25)24(2)15-9-10-31(27,28)13-15/h3-8,11,15H,9-10,12-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.97E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50549
PNG
(2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid ...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
Show InChI InChI=1S/C22H22N2O6S/c1-14-7-8-20(30-14)19-11-17(16-5-3-4-6-18(16)23-19)22(26)29-12-21(25)24(2)15-9-10-31(27,28)13-15/h3-8,11,15H,9-10,12-13H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.12E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair