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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50037983'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50037983
PNG
((2R,4R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3...)
Show SMILES CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H42N6O6S/c1-3-42-29(39)26-15-20(2)12-14-36(26)28(38)25(17-27(37)33-18-21-7-6-13-35(19-21)30(31)32)34-43(40,41)24-11-10-22-8-4-5-9-23(22)16-24/h4-5,8-11,16,20-21,25-26,34H,3,6-7,12-15,17-19H2,1-2H3,(H3,31,32)(H,33,37)/t20-,21+,25+,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of human thrombin

J Med Chem 37: 3889-901 (1994)


BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair