BDBM50077043 3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid ((S)-1-benzothiazol-2-ylmethyl-2-{4-[2-(3-ethyl-ureido)-ethyl]-piperidin-1-yl}-2-oxo-ethyl)-amide::CHEMBL27267

SMILES: CCNC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12

InChI Key: InChIKey=PRBJKHXLDVTRPN-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 = 50077043   

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))	BDBM50077043 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CCNC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C31H42N6O4S2/c1-4-32-30(39)33-15-12-21-13-16-37(17-14-21)29(38)24(18-27-35-23-9-5-6-10-25(23)42-27)36-43(40,41)26-11-7-8-22-19-31(2,3)20-34-28(22)26/h5-11,21,24,34,36H,4,12-20H2,1-3H3,(H2,32,33,39)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	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