BDBM778 [amino(4-pentylphenyl)methylidene]azanium::benzamidine deriv.::p-n-pentylbenzamidinium chloride

SMILES: CCCCCc1ccc(cc1)C(N)=[NH2+]

InChI Key: InChIKey=LXPMHRCEFGFGTE-UHFFFAOYSA-O

Data: 3 ITC

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 778

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
Trypsin (Bos taurus (bovine))	BDBM778 ([amino(4-pentylphenyl)methylidene]azanium | benzam...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-6.40	-4.85	-1.58	4.78	8	20
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM778 ([amino(4-pentylphenyl)methylidene]azanium | benzam...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-6.50	-4.13	-2.36	4.76	8	25
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM778 ([amino(4-pentylphenyl)methylidene]azanium | benzam...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-6.66	-2.48	-4.18	4.70	8	37
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)