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BDBM50366644 CHEMBL1907777

SMILES: CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCC(CCO)CC1

InChI Key: InChIKey=ZVNJUKVQOLXDDZ-QFIPXVFZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50366644   
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))		BDBM50366644
PNG
(CHEMBL1907777)
Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCC(CCO)CC1 |r|
Show InChI InChI=1S/C26H36N4O4S/c1-26(2)16-21-6-3-7-23(24(21)28-18-26)35(33,34)29-22(15-20-5-4-11-27-17-20)25(32)30-12-8-19(9-13-30)10-14-31/h3-7,11,17,19,22,28-29,31H,8-10,12-16,18H2,1-2H3/t22-/m0/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.96E+4n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Thrombin

Bioorg Med Chem Lett 10: 1563-6 (2000)


BindingDB Entry DOI: 10.7270/Q2VX0H1B
More data for this
Ligand-Target Pair