BDBM32655 benzamidine- based compound, 4

SMILES: CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=YHAMQFKGUUSJMU-KWCCSABGSA-N

Data: 1 KI  1 ITC

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32655   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM32655 (benzamidine- based compound, 4) Show SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	180	-9.19	n/a	n/a	n/a	n/a	n/a	7.4	25
Philipps University Marburg					Assay Description Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...				J Mol Biol 391: 552-64 (2009) Article DOI: 10.1016/j.jmb.2009.06.016 BindingDB Entry DOI: 10.7270/Q2RV0M1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32655

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Thrombin (Homo sapiens (Human))	BDBM32655 (benzamidine- based compound, 4)	GoogleScholar PDB	PC cid PC sid PDB		-9.58	-0.335	-9.24	n/a	7.80	25
Philipps University Marburg					J Mol Biol 391: 552-64 (2009)