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BDBM50004771 1-(2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [1-(3-guanidino-propyl)-2,5-dioxo-5-piperidin-1-yl-pentyl]-amide::CHEMBL115829

SMILES: N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C(=O)CCC(=O)N1CCCCC1

InChI Key: InChIKey=JGDZWFWOFXHEPP-CTDXOEGXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004771   
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))		BDBM50004771
PNG
(1-(2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carbo...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C(=O)CCC(=O)N1CCCCC1
Show InChI InChI=1S/C28H43N7O4/c29-21(19-20-9-3-1-4-10-20)27(39)35-18-8-12-23(35)26(38)33-22(11-7-15-32-28(30)31)24(36)13-14-25(37)34-16-5-2-6-17-34/h1,3-4,9-10,21-23H,2,5-8,11-19,29H2,(H,33,38)(H4,30,31,32)/t21-,22?,23+/m1/s1
PDB

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PC sid
UniChem

Similars
PubMed
 1.30E+3n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin

J Med Chem 35: 3364-9 (1992)


BindingDB Entry DOI: 10.7270/Q2RX9CPP
More data for this
Ligand-Target Pair