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BDBM50077055 3-{1-[(S)-3-Benzothiazol-2-yl-2-(3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-propionyl]-piperidin-4-yl}-propionic acid::CHEMBL28439

SMILES: CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCC(O)=O)CC1

InChI Key: InChIKey=JGVWSUQFPXEXQG-QFIPXVFZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077055   
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))		BDBM50077055
PNG
(3-{1-[(S)-3-Benzothiazol-2-yl-2-(3,3-dimethyl-1,2,...)
Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCC(O)=O)CC1
Show InChI InChI=1S/C29H36N4O5S2/c1-29(2)17-20-6-5-9-24(27(20)30-18-29)40(37,38)32-22(16-25-31-21-7-3-4-8-23(21)39-25)28(36)33-14-12-19(13-15-33)10-11-26(34)35/h3-9,19,22,30,32H,10-18H2,1-2H3,(H,34,35)/t22-/m0/s1
PDB

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PC sid
UniChem

Similars
PubMed
 7.83E+3n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
Inhibition of human thrombin (in vitro)

Bioorg Med Chem Lett 9: 1317-22 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1K31
More data for this
Ligand-Target Pair