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BDBM50113793 1-(2-Ethanesulfonylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (1-carbamimidoyl-piperidin-4-ylmethyl)-amide::CHEMBL312661

SMILES: CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N

InChI Key: InChIKey=IHQPCHUOIIOZNN-UXHICEINSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113793   
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))		BDBM50113793
PNG
(1-(2-Ethanesulfonylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N
Show InChI InChI=1S/C23H36N6O4S/c1-2-34(32,33)27-19(15-17-7-4-3-5-8-17)22(31)29-12-6-9-20(29)21(30)26-16-18-10-13-28(14-11-18)23(24)25/h3-5,7-8,18-20,27H,2,6,9-16H2,1H3,(H3,24,25)(H,26,30)/t19-,20+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.

J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair