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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50037997'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50037997
PNG
((S)-4-Azocan-1-yl-N-(1-carbamimidoyl-piperidin-3-y...)
Show SMILES NC(=N)N1CCCC(CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)C1
Show InChI InChI=1S/C28H40N6O4S/c29-28(30)34-16-8-9-21(20-34)19-31-26(35)18-25(27(36)33-14-6-2-1-3-7-15-33)32-39(37,38)24-13-12-22-10-4-5-11-23(22)17-24/h4-5,10-13,17,21,25,32H,1-3,6-9,14-16,18-20H2,(H3,29,30)(H,31,35)/t21?,25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of human thrombin

J Med Chem 37: 3889-901 (1994)


BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair