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BDBM50090232 CHEMBL40319::MD805 Analogue

SMILES: CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCO)CC1

InChI Key: InChIKey=HEZVLCOQNCEDHI-OPEAARRCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090232   
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))		BDBM50090232
PNG
(CHEMBL40319 | MD805 Analogue)
Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CCO)CC1
Show InChI InChI=1S/C28H36N4O4S/c1-19-15-21-5-4-8-26(27(21)30-17-19)37(35,36)31-25(16-22-18-29-24-7-3-2-6-23(22)24)28(34)32-12-9-20(10-13-32)11-14-33/h2-8,18-20,25,29-31,33H,9-17H2,1H3/t19?,25-/m1/s1
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PubMed
 5.99E+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