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BDBM53985 MLS000687796::N-[(5Z)-4-keto-5-(2-ketoindolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]nicotinamide::N-[(5Z)-4-oxidanylidene-5-(2-oxidanylidene-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide::N-[(5Z)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide::N-[(5Z)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-3-thiazolidinyl]-3-pyridinecarboxamide::SMR000283611::cid_5452340

SMILES: O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1

InChI Key: InChIKey=UIUJAHVQPDDKSA-SEYXRHQNSA-N

Data: 2 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 3 hits for monomerid = 53985   
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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53985
PNG
(MLS000687796 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H10N4O3S2/c22-14(9-4-3-7-18-8-9)20-21-16(24)13(26-17(21)25)12-10-5-1-2-6-11(10)19-15(12)23/h1-8H,(H,19,23)(H,20,22)/b13-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.19E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM53985
PNG
(MLS000687796 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H10N4O3S2/c22-14(9-4-3-7-18-8-9)20-21-16(24)13(26-17(21)25)12-10-5-1-2-6-11(10)19-15(12)23/h1-8H,(H,19,23)(H,20,22)/b13-12-
PDB
MMDB

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KEGG

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UniChem

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PCBioAssay
n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM53985
PNG
(MLS000687796 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H10N4O3S2/c22-14(9-4-3-7-18-8-9)20-21-16(24)13(26-17(21)25)12-10-5-1-2-6-11(10)19-15(12)23/h1-8H,(H,19,23)(H,20,22)/b13-12-
PDB
MMDB

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KEGG

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UniChem

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PCBioAssay
n/an/a 4.31E+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/Q2NZ8631
More data for this
Ligand-Target Pair