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BDBM23994 5-bromo-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazole]-2-one::thiadiazole derivative, 9

SMILES: Brc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1

InChI Key: InChIKey=RRBYYBWDUNSVAW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 23994   
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
Very long-chain acyl-CoA synthetase


(Homo sapiens (Human))
BDBM23994
PNG
(5-bromo-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2...)
Show SMILES Brc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:10|
Show InChI InChI=1S/C15H10BrN3OS/c16-10-6-7-12-11(8-10)15(14(20)17-12)19-18-13(21-15)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)
UniProtKB/SwissProt

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PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



University of Nebraska

Curated by ChEMBL


Assay Description
Inhibition of FATP2 in human HepG2 cells assessed as decrease in fatty acid transport after 5 mins by trypan blue dye based fluorescence quenching me...


Medchemcomm 7: 612-622 (2016)


BindingDB Entry DOI: 10.7270/Q2QR502H
More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (Human))
BDBM23994
PNG
(5-bromo-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2...)
Show SMILES Brc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:10|
Show InChI InChI=1S/C15H10BrN3OS/c16-10-6-7-12-11(8-10)15(14(20)17-12)19-18-13(21-15)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)
PDB
MMDB

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.36E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...


Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair