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BDBM50077047 3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {(S)-1-benzothiazol-2-ylmethyl-2-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-2-oxo-ethyl}-amide::CHEMBL27281

SMILES: CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCN(CCO)CC1

InChI Key: InChIKey=VMQBZUWJVOIFCV-NRFANRHFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077047   
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))		BDBM50077047
PNG
(3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...)
Show SMILES CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C27H35N5O4S2/c1-27(2)17-19-6-5-9-23(25(19)28-18-27)38(35,36)30-21(16-24-29-20-7-3-4-8-22(20)37-24)26(34)32-12-10-31(11-13-32)14-15-33/h3-9,21,28,30,33H,10-18H2,1-2H3/t21-/m0/s1
PDB

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PC sid
UniChem

Similars
PubMed
 350n/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