BDBM50113786 4-{2-[1-(2-Amino-3-phenyl-propionyl)-piperidin-2-yl]-ethoxy}-piperidine-1-carboxamidine::CHEMBL313788

SMILES: N[C@H](Cc1ccccc1)C(=O)N1CCCCC1CCOC1CCN(CC1)C(N)=N

InChI Key: InChIKey=PANTUTJARLKRJF-ROPPNANJSA-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 = 50113786   

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))	BDBM50113786 (4-{2-[1-(2-Amino-3-phenyl-propionyl)-piperidin-2-y...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCCC1CCOC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H35N5O2/c23-20(16-17-6-2-1-3-7-17)21(28)27-12-5-4-8-18(27)11-15-29-19-9-13-26(14-10-19)22(24)25/h1-3,6-7,18-20H,4-5,8-16,23H2,(H3,24,25)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50113786 (4-{2-[1-(2-Amino-3-phenyl-propionyl)-piperidin-2-y...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCCC1CCOC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H35N5O2/c23-20(16-17-6-2-1-3-7-17)21(28)27-12-5-4-8-18(27)11-15-29-19-9-13-26(14-10-19)22(24)25/h1-3,6-7,18-20H,4-5,8-16,23H2,(H3,24,25)/t18?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair