BDBM50157340 7-(1-Pyridin-4-ylmethyl-piperidin-4-ylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxamidine; trihydrochloride::CHEMBL539329

SMILES: NC(=N)N1CCc2ccc(OCC3CCN(Cc4ccncc4)CC3)cc2C1

InChI Key: InChIKey=VGQDFGALGMGJMK-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 = 50157340   

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))	BDBM50157340 (7-(1-Pyridin-4-ylmethyl-piperidin-4-ylmethoxy)-3,4...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(Cc4ccncc4)CC3)cc2C1 Show InChI InChI=1S/C22H29N5O/c23-22(24)27-12-7-19-1-2-21(13-20(19)15-27)28-16-18-5-10-26(11-6-18)14-17-3-8-25-9-4-17/h1-4,8-9,13,18H,5-7,10-12,14-16H2,(H3,23,24)	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))	BDBM50157340 (7-(1-Pyridin-4-ylmethyl-piperidin-4-ylmethoxy)-3,4...) Show SMILES NC(=N)N1CCc2ccc(OCC3CCN(Cc4ccncc4)CC3)cc2C1 Show InChI InChI=1S/C22H29N5O/c23-22(24)27-12-7-19-1-2-21(13-20(19)15-27)28-16-18-5-10-26(11-6-18)14-17-3-8-25-9-4-17/h1-4,8-9,13,18H,5-7,10-12,14-16H2,(H3,23,24)	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	800	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