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SMILES: CNC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccc(cc23)-c2ccc(O)cc2)OC1=O

InChI Key: InChIKey=ZSPJHSQOZNBJDC-CBQOVEMMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075120   
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))		BDBM50075120
PNG
(5-[(3R,3aS,8aS)-5-(4-Hydroxy-phenyl)-2-oxo-3,3a,8,...)
Show SMILES CNC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccc(cc23)-c2ccc(O)cc2)OC1=O
Show InChI InChI=1S/C23H26N2O3/c1-25-21(24)5-3-2-4-18-22-19-12-15(14-8-10-17(26)11-9-14)6-7-16(19)13-20(22)28-23(18)27/h6-12,18,20,22,26H,2-5,13H2,1H3,(H2,24,25)/t18-,20+,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human thrombin was determined

Bioorg Med Chem Lett 9: 431-6 (1999)


BindingDB Entry DOI: 10.7270/Q26T0KS3
More data for this
Ligand-Target Pair