BDBM50077045 3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {(S)-1-benzothiazol-2-ylmethyl-2-[4-(2-dimethylamino-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL27726

SMILES: CN(C)CCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12

InChI Key: InChIKey=FFMSYQUIQYEAKA-DEOSSOPVSA-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 = 50077045   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50077045 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CN(C)CCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C30H41N5O3S2/c1-30(2)19-22-8-7-11-26(28(22)31-20-30)40(37,38)33-24(18-27-32-23-9-5-6-10-25(23)39-27)29(36)35-16-13-21(14-17-35)12-15-34(3)4/h5-11,21,24,31,33H,12-20H2,1-4H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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