BindingDB logo
myBDB logout

BDBM50090253 6-(3-Hydroxy-propyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {(S)-1-benzothiazol-2-ylmethyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL289185

SMILES: CC1(C)CNc2c(C1)cc(CCCO)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1

InChI Key: InChIKey=NLNZLEPKPQTGAA-VWLOTQADSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090253   
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))		BDBM50090253
PNG
(6-(3-Hydroxy-propyl)-3,3-dimethyl-1,2,3,4-tetrahyd...)
Show SMILES CC1(C)CNc2c(C1)cc(CCCO)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C31H41FN4O4S2/c1-31(2)19-23-16-22(6-5-15-37)17-27(29(23)33-20-31)42(39,40)35-25(18-28-34-24-7-3-4-8-26(24)41-28)30(38)36-13-10-21(9-12-32)11-14-36/h3-4,7-8,16-17,21,25,33,35,37H,5-6,9-15,18-20H2,1-2H3/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 119n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity against thrombin

Bioorg Med Chem Lett 10: 1567-70 (2000)


BindingDB Entry DOI: 10.7270/Q2RX9BBS
More data for this
Ligand-Target Pair