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BDBM50404588 CHEMBL354135

SMILES: CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(OC(C)C)cccc12

InChI Key: InChIKey=CUJTYVUUZTXKSN-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404588   
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
Thrombin


(Bos taurus (Bovine))
BDBM50404588
PNG
(CHEMBL354135)
Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(OC(C)C)cccc12
Show InChI InChI=1/C26H39N5O4S/c1-4-19-13-16-31(17-14-19)25(32)22(10-7-15-29-26(27)28)30-36(33,34)24-12-6-8-20-21(24)9-5-11-23(20)35-18(2)3/h5-6,8-9,11-12,18-19,22,30H,4,7,10,13-17H2,1-3H3,(H4,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.


J Med Chem 23: 830-6 (1980)


Article DOI: 10.1021/jm00182a004
BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair