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SMILES: CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1

InChI Key: InChIKey=UJWZRLIPOGZMTL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500086   
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))		BDBM50500086
PNG
(CHEMBL3741212)
Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-12-5-18(27(37)34(14-13-25(35)36)21-10-6-19(28)7-11-21)15-22(23)32-24(33)16-31-20-8-3-17(4-9-20)26(29)30/h3-12,15,31H,2,13-14,16H2,1H3,(H3,29,30)(H,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)

Bioorg Med Chem 24: 73-84 (2016)


Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T
More data for this
Ligand-Target Pair