BDBM50167021 7-[1-(3-Amino-benzyl)-piperidin-4-ylmethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine; trihydrochloride::CHEMBL538324

SMILES: NC(=N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1

InChI Key: InChIKey=XIZINJSTBMMWIV-UHFFFAOYSA-N

Data: 2 IC50

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 = 50167021   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50167021 (7-[1-(3-Amino-benzyl)-piperidin-4-ylmethoxy]-3,4-d...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1 Show InChI InChI=1S/C23H31N5O/c24-21-3-1-2-18(12-21)14-27-9-6-17(7-10-27)16-29-22-5-4-19-8-11-28(23(25)26)15-20(19)13-22/h1-5,12-13,17H,6-11,14-16,24H2,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor X				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50167021 (7-[1-(3-Amino-benzyl)-piperidin-4-ylmethoxy]-3,4-d...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(Cc4cccc(N)c4)CC3)cc2C1 Show InChI InChI=1S/C23H31N5O/c24-21-3-1-2-18(12-21)14-27-9-6-17(7-10-27)16-29-22-5-4-19-8-11-28(23(25)26)15-20(19)13-22/h1-5,12-13,17H,6-11,14-16,24H2,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor II (thrombin)				J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36
					More data for this Ligand-Target Pair