BDBM50070787 4-Amino-1-[4-(1,3-diphenyl-propoxy)-benzyl]-pyridinium::CHEMBL47481

SMILES: [NH2+]=c1ccn(Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1

InChI Key: InChIKey=LILGRJLPBXAQRR-UHFFFAOYSA-O

Data: 2 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 2 hits for monomerid = 50070787   

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
Prothrombin (Homo sapiens (Human))	BDBM50070787 (4-Amino-1-[4-(1,3-diphenyl-propoxy)-benzyl]-pyridi...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H26N2O/c28-25-17-19-29(20-18-25)21-23-11-14-26(15-12-23)30-27(24-9-5-2-6-10-24)16-13-22-7-3-1-4-8-22/h1-12,14-15,17-20,27-28H,13,16,21H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50070787 (4-Amino-1-[4-(1,3-diphenyl-propoxy)-benzyl]-pyridi...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H26N2O/c28-25-17-19-29(20-18-25)21-23-11-14-26(15-12-23)30-27(24-9-5-2-6-10-24)16-13-22-7-3-1-4-8-22/h1-12,14-15,17-20,27-28H,13,16,21H2/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair