BDBM50060036 3-[(R)-3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL104731

SMILES: CC1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=NXVHWZWNOYBQDB-XMMPIXPASA-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 = 50060036   

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
Thrombin (Bos taurus (Bovine))	BDBM50060036 (3-[(R)-3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-...) Show SMILES CC1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH
					More data for this Ligand-Target Pair