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BDBM50107477 (S)-1-[(2R,3R)-3-Methoxy-2-(naphthalene-2-sulfonylamino)-butyryl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL421944

SMILES: CO[C@H](C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N

InChI Key: InChIKey=OXDKISGMYBJXJC-VOQZNFBZSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107477   
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))		BDBM50107477
PNG
((S)-1-[(2R,3R)-3-Methoxy-2-(naphthalene-2-sulfonyl...)
Show SMILES CO[C@H](C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C25H36N6O5S/c1-17(36-2)22(30-37(34,35)20-12-11-18-8-3-4-9-19(18)16-20)24(33)31-15-7-10-21(31)23(32)28-13-5-6-14-29-25(26)27/h3-4,8-9,11-12,16-17,21-22,30H,5-7,10,13-15H2,1-2H3,(H,28,32)(H4,26,27,29)/t17-,21+,22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against hydrolysis of human alpha thrombin

Bioorg Med Chem Lett 12: 45-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair