BDBM50076548 1-[2-(4-Benzyl-piperidin-1-yl)-2-oxo-ethyl]-3-(2-hydroxy-ethyl)-1H-indole-5-carboxamidine::CHEMBL175398

SMILES: NC(=N)c1ccc2n(CC(=O)N3CCC(Cc4ccccc4)CC3)cc(CCO)c2c1

InChI Key: InChIKey=IJFCVLCZTTXIDS-UHFFFAOYSA-N

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 = 50076548   

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))	BDBM50076548 (1-[2-(4-Benzyl-piperidin-1-yl)-2-oxo-ethyl]-3-(2-h...) Show SMILES NC(=N)c1ccc2n(CC(=O)N3CCC(Cc4ccccc4)CC3)cc(CCO)c2c1 Show InChI InChI=1S/C25H30N4O2/c26-25(27)20-6-7-23-22(15-20)21(10-13-30)16-29(23)17-24(31)28-11-8-19(9-12-28)14-18-4-2-1-3-5-18/h1-7,15-16,19,30H,8-14,17H2,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of Coagulation factor II				Bioorg Med Chem Lett 9: 925-30 (1999) BindingDB Entry DOI: 10.7270/Q2KS6QQ6
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50076548 (1-[2-(4-Benzyl-piperidin-1-yl)-2-oxo-ethyl]-3-(2-h...) Show SMILES NC(=N)c1ccc2n(CC(=O)N3CCC(Cc4ccccc4)CC3)cc(CCO)c2c1 Show InChI InChI=1S/C25H30N4O2/c26-25(27)20-6-7-23-22(15-20)21(10-13-30)16-29(23)17-24(31)28-11-8-19(9-12-28)14-18-4-2-1-3-5-18/h1-7,15-16,19,30H,8-14,17H2,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against trypsin				Bioorg Med Chem Lett 9: 925-30 (1999) BindingDB Entry DOI: 10.7270/Q2KS6QQ6
					More data for this Ligand-Target Pair