BDBM50112530 7-{4-Amino-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine::CHEMBL277204

SMILES: CCc1nc2c(N)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N

InChI Key: InChIKey=MGSRMRUPRLHNCT-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 = 50112530   

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))	BDBM50112530 (7-{4-Amino-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-...) Show SMILES CCc1nc2c(N)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C28H33N7O/c1-3-25-33-27-23(8-9-24(26(27)30)36-22-10-12-34(13-11-22)17(2)29)35(25)16-18-4-5-19-6-7-20(28(31)32)15-21(19)14-18/h4-9,14-15,22,29H,3,10-13,16,30H2,1-2H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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
Trypsin-1 (Homo sapiens (Human))	BDBM50112530 (7-{4-Amino-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-...) Show SMILES CCc1nc2c(N)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C28H33N7O/c1-3-25-33-27-23(8-9-24(26(27)30)36-22-10-12-34(13-11-22)17(2)29)35(25)16-18-4-5-19-6-7-20(28(31)32)15-21(19)14-18/h4-9,14-15,22,29H,3,10-13,16,30H2,1-2H3,(H3,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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))	BDBM50112530 (7-{4-Amino-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-...) Show SMILES CCc1nc2c(N)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N Show InChI InChI=1S/C28H33N7O/c1-3-25-33-27-23(8-9-24(26(27)30)36-22-10-12-34(13-11-22)17(2)29)35(25)16-18-4-5-19-6-7-20(28(31)32)15-21(19)14-18/h4-9,14-15,22,29H,3,10-13,16,30H2,1-2H3,(H3,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+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