BDBM50112524 7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-4-nitro-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine::CHEMBL25073

SMILES: CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O

InChI Key: InChIKey=JPZAPLAFJYUWQP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50112524   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) Show SMILES CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O Show InChI InChI=1S/C28H31N7O3/c1-3-25-32-26-23(34(25)16-18-4-5-19-6-7-20(28(30)31)15-21(19)14-18)8-9-24(27(26)35(36)37)38-22-10-12-33(13-11-22)17(2)29/h4-9,14-15,22,29H,3,10-13,16H2,1-2H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) Show SMILES CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O Show InChI InChI=1S/C28H31N7O3/c1-3-25-32-26-23(34(25)16-18-4-5-19-6-7-20(28(30)31)15-21(19)14-18)8-9-24(27(26)35(36)37)38-22-10-12-33(13-11-22)17(2)29/h4-9,14-15,22,29H,3,10-13,16H2,1-2H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) Show SMILES CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O Show InChI InChI=1S/C28H31N7O3/c1-3-25-32-26-23(34(25)16-18-4-5-19-6-7-20(28(30)31)15-21(19)14-18)8-9-24(27(26)35(36)37)38-22-10-12-33(13-11-22)17(2)29/h4-9,14-15,22,29H,3,10-13,16H2,1-2H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair