BDBM50112531 4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine::CHEMBL423480

SMILES: CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1

InChI Key: InChIKey=RAFZNDXUINWIKS-ZCVNEZMMSA-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 = 50112531   

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))	BDBM50112531 (4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1 Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-11-10-22(31-21-12-15-29(16-13-21)18(2)26)17-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	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))	BDBM50112531 (4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1 Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-11-10-22(31-21-12-15-29(16-13-21)18(2)26)17-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	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))	BDBM50112531 (4-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-ylo...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1C\C=C\c1ccc(N)cc1 Show InChI InChI=1S/C25H31N5O/c1-3-25-28-23-11-10-22(31-21-12-15-29(16-13-21)18(2)26)17-24(23)30(25)14-4-5-19-6-8-20(27)9-7-19/h4-11,17,21,26H,3,12-16,27H2,1-2H3/b5-4+,26-18?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	880	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