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BDBM43573 6-({[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid::6-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid::6-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid::MLS000051782::SMR000080802::cid_2971528

SMILES: OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12

InChI Key: InChIKey=IBGUAUZZMLDYFF-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 = 43573   
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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43573
PNG
(6-({[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)pheny...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12 |c:5|
Show InChI InChI=1S/C23H24N2O5S/c26-22(19-8-2-3-9-20(19)23(27)28)24-17-11-13-18(14-12-17)31(29,30)25-15-5-7-16-6-1-4-10-21(16)25/h1-4,6,10-14,19-20H,5,7-9,15H2,(H,24,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.57E+4n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM43573
PNG
(6-({[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)pheny...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12 |c:5|
Show InChI InChI=1S/C23H24N2O5S/c26-22(19-8-2-3-9-20(19)23(27)28)24-17-11-13-18(14-12-17)31(29,30)25-15-5-7-16-6-1-4-10-21(16)25/h1-4,6,10-14,19-20H,5,7-9,15H2,(H,24,26)(H,27,28)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.67E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair