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BDBM50404516 CHEMBL166790

SMILES: CCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C

InChI Key: InChIKey=CXGVRHOLUQFKIH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404516   
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))
BDBM50404516
PNG
(CHEMBL166790)
Show SMILES CCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C20H29N5O4S/c1-4-29-19(26)16(10-7-13-23-20(21)22)24-30(27,28)18-12-6-8-14-15(18)9-5-11-17(14)25(2)3/h5-6,8-9,11-12,16,24H,4,7,10,13H2,1-3H3,(H4,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin


J Med Chem 23: 827-30 (1980)


Article DOI: 10.1021/jm00182a003
BindingDB Entry DOI: 10.7270/Q2KH0PH2
More data for this
Ligand-Target Pair