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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50090251'   
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))		BDBM50090251
PNG
(6-(2-Methoxy-ethoxymethoxymethyl)-3,3-dimethyl-1,2...)
Show SMILES COCCOCOCc1cc2CC(C)(C)CNc2c(c1)S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C33H45FN4O6S2/c1-33(2)19-25-16-24(20-44-22-43-15-14-42-3)17-29(31(25)35-21-33)46(40,41)37-27(18-30-36-26-6-4-5-7-28(26)45-30)32(39)38-12-9-23(8-11-34)10-13-38/h4-7,16-17,23,27,35,37H,8-15,18-22H2,1-3H3/t27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 125n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity against thrombin

Bioorg Med Chem Lett 10: 1567-70 (2000)


BindingDB Entry DOI: 10.7270/Q2RX9BBS
More data for this
Ligand-Target Pair