BDBM50286384 N-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-2-(N',N''-dicyclohexyl-guanidino)-3-naphthalen-2-yl-propionamide

SMILES: O=C(NC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc2ccccc2c1)N\C(NC1CCCCC1)=[NH+]\C1CCCCC1

InChI Key: InChIKey=ZXWXGXKPUVYKPX-NDWDGEQISA-O

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 = 50286384   

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
BDKRB2 (Homo sapiens (Human))	BDBM50286384 (N-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-2-(N...) Show SMILES O=C(NC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc2ccccc2c1)N\C(NC1CCCCC1)=[NH+]\C1CCCCC1 |wD:24.41,(14.19,-7.67,;14.04,-9.21,;15.29,-10.12,;16.83,-10.12,;17.59,-8.79,;18.92,-9.56,;17.82,-10.64,;19.16,-11.41,;19.9,-10.12,;19.13,-8.79,;17.59,-11.46,;17.58,-13,;16.25,-13.75,;14.92,-12.98,;13.57,-13.73,;13.56,-15.27,;14.9,-16.06,;16.23,-15.29,;18.92,-13.75,;20.25,-13,;21.58,-13.75,;21.58,-15.32,;20.23,-16.09,;18.9,-15.32,;12.63,-9.84,;12.46,-11.39,;11.36,-12.46,;12.14,-13.8,;11.39,-15.13,;9.84,-15.13,;9.1,-16.46,;7.56,-16.46,;6.78,-15.15,;7.55,-13.82,;9.07,-13.8,;9.83,-12.49,;11.37,-8.93,;9.87,-8.53,;8.78,-9.61,;7.23,-9.61,;6.48,-10.99,;4.75,-10.47,;3.58,-10.85,;4.47,-9.61,;5.92,-10.1,;9.48,-7.04,;7.98,-6.64,;6.66,-7.11,;5.22,-6.62,;4.33,-7.88,;5.49,-7.49,;7.22,-8.02,)| Show InChI InChI=1S/C46H57N5O/c52-45(50-43-37-27-29-51(30-28-37)44(43)42(35-16-5-1-6-17-35)36-18-7-2-8-19-36)41(32-33-25-26-34-15-13-14-20-38(34)31-33)49-46(47-39-21-9-3-10-22-39)48-40-23-11-4-12-24-40/h1-2,5-8,13-20,25-26,31,37,39-44H,3-4,9-12,21-24,27-30,32H2,(H,50,52)(H2,47,48,49)/p+1/t41-,43?,44?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2				Bioorg Med Chem Lett 5: 357-362 (1995) Article DOI: 10.1016/0960-894X(95)00035-R BindingDB Entry DOI: 10.7270/Q2S75GTM
					More data for this Ligand-Target Pair