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BDBM50034578 CHEMBL431115::Peptide boronate

SMILES: COCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

InChI Key: InChIKey=FMPLFSOTNDEXAS-BZUNMKEDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50034578   
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))		BDBM50034578
PNG
(CHEMBL431115 | Peptide boronate)
Show SMILES COCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C36H48BN3O7/c1-35(2)26-21-29(35)36(3)30(22-26)46-37(47-36)31(17-19-44-4)39-32(41)28-16-11-18-40(28)33(42)27(20-24-12-7-5-8-13-24)38-34(43)45-23-25-14-9-6-10-15-25/h5-10,12-15,26-31H,11,16-23H2,1-4H3,(H,38,43)(H,39,41)/t26?,27-,28-,29?,30+,31?,36-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
 21n/an/an/an/an/an/an/an/a



Thrombosis Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against thrombin

J Med Chem 38: 1511-22 (1995)


BindingDB Entry DOI: 10.7270/Q2QR4W57
More data for this
Ligand-Target Pair