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SMILES: CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N

InChI Key: InChIKey=BLSTVPWBRJQJEO-GNPCJPGPSA-N

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 4 hits for monomerid = 50098   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50098
PNG
((3E)-3-(2-furanylmethylidene)-4-imino-8-methylsulf...)
Show SMILES CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
Show InChI InChI=1S/C16H11N3O4S2/c1-25(21,22)10-4-5-12-13(8-10)24-16-18-15(20)11(14(17)19(12)16)7-9-3-2-6-23-9/h2-8,17H,1H3/b11-7+,17-14?
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.84E+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
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM50098
PNG
((3E)-3-(2-furanylmethylidene)-4-imino-8-methylsulf...)
Show SMILES CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
Show InChI InChI=1S/C16H11N3O4S2/c1-25(21,22)10-4-5-12-13(8-10)24-16-18-15(20)11(14(17)19(12)16)7-9-3-2-6-23-9/h2-8,17H,1H3/b11-7+,17-14?
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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n/an/a 1.44E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50098
PNG
((3E)-3-(2-furanylmethylidene)-4-imino-8-methylsulf...)
Show SMILES CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
Show InChI InChI=1S/C16H11N3O4S2/c1-25(21,22)10-4-5-12-13(8-10)24-16-18-15(20)11(14(17)19(12)16)7-9-3-2-6-23-9/h2-8,17H,1H3/b11-7+,17-14?
PDB

UniProtKB/SwissProt

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n/an/a 2.16E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Core protein


(Hepatitis C virus)
BDBM50098
PNG
((3E)-3-(2-furanylmethylidene)-4-imino-8-methylsulf...)
Show SMILES CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
Show InChI InChI=1S/C16H11N3O4S2/c1-25(21,22)10-4-5-12-13(8-10)24-16-18-15(20)11(14(17)19(12)16)7-9-3-2-6-23-9/h2-8,17H,1H3/b11-7+,17-14?
PDB

UniProtKB/TrEMBL

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n/an/a>4.98E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair