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BDBM47475 2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methyl]amino]benzoic acid::2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-diketo-4-isoquinolylidene]methyl]amino]benzoic acid::2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-dioxo-4-isoquinolinylidene]methyl]amino]benzoic acid::2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-dioxoisoquinolin-4-ylidene]methyl]amino]benzoic acid::MLS001002340::SMR000368858::cid_6108189

SMILES: CCN(CC)S(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O

InChI Key: InChIKey=BORXYUOPVPWHIP-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 = 47475   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-binding cassette sub-family B member 6, mitochondrial


(Homo sapiens (Human))
BDBM47475
PNG
(2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-bis(ox...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C27H25N3O6S/c1-3-29(4-2)37(35,36)19-11-9-10-18(16-19)30-25(31)21-13-6-5-12-20(21)23(26(30)32)17-28-24-15-8-7-14-22(24)27(33)34/h5-17,32H,3-4H2,1-2H3,(H,33,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 210n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47475
PNG
(2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-bis(ox...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C27H25N3O6S/c1-3-29(4-2)37(35,36)19-11-9-10-18(16-19)30-25(31)21-13-6-5-12-20(21)23(26(30)32)17-28-24-15-8-7-14-22(24)27(33)34/h5-17,32H,3-4H2,1-2H3,(H,33,34)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.00E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair