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SMILES: CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)n1

InChI Key: InChIKey=ZGXLGTVBNZQWBB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50191108   
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))		BDBM50191108
PNG
(CHEMBL3974458)
Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(C)n1
Show InChI InChI=1S/C27H29N7O3/c1-3-33-22-12-9-19(27(37)34(14-13-25(35)36)23-6-4-5-17(2)31-23)15-21(22)32-24(33)16-30-20-10-7-18(8-11-20)26(28)29/h4-12,15,30H,3,13-14,16H2,1-2H3,(H3,28,29)(H,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human thrombin pre-incubated for 10 mins before Ac-FVR-AMC substrate addition and measured after 10 mins by fluorescence based assay

Eur J Med Chem 120: 148-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.020
BindingDB Entry DOI: 10.7270/Q2QV3PF0
More data for this
Ligand-Target Pair