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BDBM50084070 2-[3-(1-Carbamimidoyl-piperidin-4-ylmethoxy)-5-methyl-phenoxysulfonyl]-benzoic acid methyl ester::CHEMBL168318

SMILES: COC(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1

InChI Key: InChIKey=BQNGEKYQVAXLIJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50084070   
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))		BDBM50084070
PNG
(2-[3-(1-Carbamimidoyl-piperidin-4-ylmethoxy)-5-met...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1
Show InChI InChI=1S/C22H27N3O6S/c1-15-11-17(30-14-16-7-9-25(10-8-16)22(23)24)13-18(12-15)31-32(27,28)20-6-4-3-5-19(20)21(26)29-2/h3-6,11-13,16H,7-10,14H2,1-2H3,(H3,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
 28n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay

Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair