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BDBM50107441 (2S,4S)-1-[(S)-3-Hydroxy-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL134916

SMILES: C[C@H]1CCN([C@@H](C1)C(=O)NCCCCNC(N)=N)C(=O)[C@H](CO)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=XEEMSMVEWYEKLY-HSQYWUDLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107441   
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))		BDBM50107441
PNG
((2S,4S)-1-[(S)-3-Hydroxy-2-(naphthalene-2-sulfonyl...)
Show SMILES C[C@H]1CCN([C@@H](C1)C(=O)NCCCCNC(N)=N)C(=O)[C@H](CO)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H36N6O5S/c1-17-10-13-31(22(14-17)23(33)28-11-4-5-12-29-25(26)27)24(34)21(16-32)30-37(35,36)20-9-8-18-6-2-3-7-19(18)15-20/h2-3,6-9,15,17,21-22,30,32H,4-5,10-14,16H2,1H3,(H,28,33)(H4,26,27,29)/t17-,21-,22-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 620n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin catalytic activity after 3 min pre incubation.

Bioorg Med Chem Lett 12: 41-4 (2001)


BindingDB Entry DOI: 10.7270/Q2MP53T0
More data for this
Ligand-Target Pair