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BDBM50098237 2-{4-[2-(Cyclopentyl-methyl-carbamoyl)-2-(naphthalene-2-sulfonylamino)-ethyl]-phenyl}-ethyl-ammonium

SMILES: CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CC[NH3+])cc1)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=ONZJLWKBZFXGMH-SANMLTNESA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098237   
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))		BDBM50098237
PNG
(2-{4-[2-(Cyclopentyl-methyl-carbamoyl)-2-(naphthal...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CC[NH3+])cc1)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N3O3S/c1-30(24-8-4-5-9-24)27(31)26(18-21-12-10-20(11-13-21)16-17-28)29-34(32,33)25-15-14-22-6-2-3-7-23(22)19-25/h2-3,6-7,10-15,19,24,26,29H,4-5,8-9,16-18,28H2,1H3/p+1/t26-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 3.30n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against human thrombin

J Med Chem 44: 1043-50 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6S86
More data for this
Ligand-Target Pair