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SMILES: Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=NVCZRAQLGZLGRG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500080   
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))		BDBM50500080
PNG
(CHEMBL3739822)
Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N6O3/c1-35-22-10-7-17(13-21(22)34-23(35)15-33-19-8-5-16(6-9-19)25(31)32)26(39)36(12-11-24(37)38)20-4-2-3-18(14-20)27(28,29)30/h2-10,13-14,33H,11-12,15H2,1H3,(H3,31,32)(H,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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