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BDBM50404522 CHEMBL168689

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCCC#C

InChI Key: InChIKey=NKTHCDJCCCEQMI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404522   
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))		BDBM50404522
PNG
(CHEMBL168689)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CCCNC(N)=N)C(=O)OCCC#C
Show InChI InChI=1S/C22H29N5O4S/c1-4-5-15-31-21(28)18(11-8-14-25-22(23)24)26-32(29,30)20-13-7-9-16-17(20)10-6-12-19(16)27(2)3/h1,6-7,9-10,12-13,18,26H,5,8,11,14-15H2,2-3H3,(H4,23,24,25)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.00E+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)


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