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BDBM50404527 CHEMBL353733

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

InChI Key: InChIKey=ASZOHPXOTKKEAN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404527   
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))		BDBM50404527
PNG
(CHEMBL353733)
Show SMILES CCCCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C23H35N5O4S/c1-4-5-6-16-32-22(29)19(12-9-15-26-23(24)25)27-33(30,31)21-14-8-10-17-18(21)11-7-13-20(17)28(2)3/h7-8,10-11,13-14,19,27H,4-6,9,12,15-16H2,1-3H3,(H4,24,25,26)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.90E+4n/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)


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