BDBM50077057 3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid ((S)-1-benzothiazol-2-ylmethyl-2-{4-[2-(3-methyl-ureido)-ethyl]-piperidin-1-yl}-2-oxo-ethyl)-amide::CHEMBL28277

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

InChI Key: InChIKey=SVRGOBJZXFFOFP-QHCPKHFHSA-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 = 50077057   

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))	BDBM50077057 (3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfon...) Show SMILES CNC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 Show InChI InChI=1S/C30H40N6O4S2/c1-30(2)18-21-7-6-10-25(27(21)33-19-30)42(39,40)35-23(17-26-34-22-8-4-5-9-24(22)41-26)28(37)36-15-12-20(13-16-36)11-14-32-29(38)31-3/h4-10,20,23,33,35H,11-19H2,1-3H3,(H2,31,32,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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