BDBM50113789 4-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]-piperidin-1-yl}-3-(1-methyl-piperidin-4-ylamino)-4-oxo-butyric acid::CHEMBL79442

SMILES: CN1CCC(CC1)N[C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N

InChI Key: InChIKey=BUSWDCWFEGMYML-ICSRJNTNSA-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 = 50113789   

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))	BDBM50113789 (4-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]...) Show SMILES CN1CCC(CC1)N[C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N Show InChI InChI=1S/C23H42N6O4/c1-27-11-5-17(6-12-27)26-20(16-21(30)31)22(32)29-10-3-2-4-18(29)9-15-33-19-7-13-28(14-8-19)23(24)25/h17-20,26H,2-16H2,1H3,(H3,24,25)(H,30,31)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	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))	BDBM50113789 (4-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]...) Show SMILES CN1CCC(CC1)N[C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N Show InChI InChI=1S/C23H42N6O4/c1-27-11-5-17(6-12-27)26-20(16-21(30)31)22(32)29-10-3-2-4-18(29)9-15-33-19-7-13-28(14-8-19)23(24)25/h17-20,26H,2-16H2,1H3,(H3,24,25)(H,30,31)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+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