BDBM50157329 7-(Piperidin-4-ylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxamidine; dihydrochloride::CHEMBL557578

SMILES: NC(=N)N1CCc2ccc(OCC3CCNCC3)cc2C1

InChI Key: InChIKey=CHBFHEBRWVVMTQ-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 = 50157329   

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))	BDBM50157329 (7-(Piperidin-4-ylmethoxy)-3,4-dihydro-1H-isoquinol...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCNCC3)cc2C1 Show InChI InChI=1S/C16H24N4O/c17-16(18)20-8-5-13-1-2-15(9-14(13)10-20)21-11-12-3-6-19-7-4-12/h1-2,9,12,19H,3-8,10-11H2,(H3,17,18)	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
Coagulation factor X (Homo sapiens (Human))	BDBM50157329 (7-(Piperidin-4-ylmethoxy)-3,4-dihydro-1H-isoquinol...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCNCC3)cc2C1 Show InChI InChI=1S/C16H24N4O/c17-16(18)20-8-5-13-1-2-15(9-14(13)10-20)21-11-12-3-6-19-7-4-12/h1-2,9,12,19H,3-8,10-11H2,(H3,17,18)	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	3.34E+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