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BDBM50107439 1-Carbamimidoyl-piperidine-3-carboxylic acid {(S)-1-[2-(naphthalene-2-sulfonylamino)-acetyl]-pyrrolidin-2-ylmethyl}-amide::CHEMBL342904

SMILES: NC(=N)N1CCC[C@@H](C1)C(=O)NC[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=SOEYMNRSGQIVRP-PMACEKPBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107439   
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))		BDBM50107439
PNG
(1-Carbamimidoyl-piperidine-3-carboxylic acid {(S)-...)
Show SMILES NC(=N)N1CCC[C@@H](C1)C(=O)NC[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H32N6O4S/c25-24(26)29-11-3-7-19(16-29)23(32)27-14-20-8-4-12-30(20)22(31)15-28-35(33,34)21-10-9-17-5-1-2-6-18(17)13-21/h1-2,5-6,9-10,13,19-20,28H,3-4,7-8,11-12,14-16H2,(H3,25,26)(H,27,32)/t19-,20-/m0/s1
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Similars
PubMed
n/an/a 310n/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