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SMILES: COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(C)OC[C@H]1CCO

InChI Key: InChIKey=DGHVDQHAKOEBJX-QSVWIEALSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 254903   
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
Prothrombin


(Homo sapiens (Human))		BDBM254903
PNG
(US9493472, 25)
Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(C)OC[C@H]1CCO |r|
Show InChI InChI=1S/C25H29ClFN3O5/c1-25(2)14-30(18(7-8-31)13-34-25)23(32)16-10-19-22(21(11-16)33-3)35-24(28-19)29-20(12-27)15-5-4-6-17(26)9-15/h4-6,9-11,18,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t18-,20?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/a7.422



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...

US Patent US9493472 (2016)


BindingDB Entry DOI: 10.7270/Q2B56HPW
More data for this
Ligand-Target Pair