BDBM50110390 CHEMBL350117::N-{(S)-1-[3-(4-Amino-cyclohexyl)-2-oxo-propyl]-2-oxo-azepan-3-yl}-C-phenyl-methanesulfonamide

SMILES: N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)CC1

InChI Key: InChIKey=WQGBFTYZEGFCHP-CUWPLCDZSA-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 = 50110390   

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))	BDBM50110390 (CHEMBL350117 | N-{(S)-1-[3-(4-Amino-cyclohexyl)-2-...) Show SMILES N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)CC1 |wU:14.14,4.4,wD:1.0,(19.47,-16.06,;18.32,-15.03,;18.32,-13.49,;16.97,-12.72,;15.64,-13.49,;14.31,-12.72,;14.31,-11.18,;15.2,-9.92,;12.77,-11.06,;12.12,-9.66,;13.1,-8.47,;12.77,-6.98,;11.39,-6.28,;9.99,-6.93,;9.64,-8.43,;8.13,-8.76,;6.68,-9.32,;6.14,-7.86,;7.24,-10.76,;5.35,-8.54,;4.02,-9.29,;4,-10.83,;2.67,-11.6,;1.34,-10.83,;1.36,-9.29,;2.69,-8.52,;10.58,-9.64,;9.9,-11.04,;15.64,-15.03,;16.97,-15.82,)| Show InChI InChI=1S/C22H33N3O4S/c23-19-11-9-17(10-12-19)14-20(26)15-25-13-5-4-8-21(22(25)27)24-30(28,29)16-18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24H,4-5,8-16,23H2/t17-,19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against human thrombin (FIIa) determined in vitro				Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319
					More data for this Ligand-Target Pair