BDBM777 [amino(4-butylphenyl)methylidene]azanium::benzamidine deriv.::p-n-butylbenzamidinium chloride

SMILES: CCCCc1ccc(cc1)C(N)=[NH2+]

InChI Key: InChIKey=QBXVSDIRVLEZRX-UHFFFAOYSA-O

Data: 4 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 4 hits for monomerid = 777

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))	BDBM777 ([amino(4-butylphenyl)methylidene]azanium | benzami...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-6.26	-4.85	-1.46	4.67	8	20
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM777 ([amino(4-butylphenyl)methylidene]azanium | benzami...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-6.26	-3.90	-2.36	4.58	8	25.1
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM777 ([amino(4-butylphenyl)methylidene]azanium | benzami...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-6.28	-3.08	-3.20	4.53	8	30
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)
Trypsin (Bos taurus (bovine))	BDBM777 ([amino(4-butylphenyl)methylidene]azanium | benzami...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-6.28	-1.87	-4.42	4.43	8	37
University of Groningen					J Am Chem Soc 125: 10570-9 (2003)