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SMILES: Cn1c(Cc2ccc(cc2)C(N)=N)nc2cc(ccc12)N(CCCC(O)=O)S(=O)(=O)c1cccc2cccnc12

InChI Key: InChIKey=LWBFCYRCARCLBC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112079   
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))		BDBM50112079
PNG
(4-[[2-(4-Carbamimidoyl-benzyl)-1-methyl-1H-benzoim...)
Show SMILES Cn1c(Cc2ccc(cc2)C(N)=N)nc2cc(ccc12)N(CCCC(O)=O)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C29H28N6O4S/c1-34-24-14-13-22(18-23(24)33-26(34)17-19-9-11-21(12-10-19)29(30)31)35(16-4-8-27(36)37)40(38,39)25-7-2-5-20-6-3-15-32-28(20)25/h2-3,5-7,9-15,18H,4,8,16-17H2,1H3,(H3,30,31)(H,36,37)
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PubMed
n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by chromogenic assay

J Med Chem 45: 1757-66 (2002)


BindingDB Entry DOI: 10.7270/Q2GX49W5
More data for this
Ligand-Target Pair