BDBM50112521 4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenol::CHEMBL25477

SMILES: CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O

InChI Key: InChIKey=CHFMVKWHQQCVHZ-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 = 50112521   

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))	BDBM50112521 (4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Trypsin-1 (Homo sapiens (Human))	BDBM50112521 (4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	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))	BDBM50112521 (4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperid...) Show SMILES CCc1nc2ccc(OC3CCN(CC3)C(C)=N)cc2n1CC=Cc1cc(N)ccc1O |w:23.26| Show InChI InChI=1S/C25H31N5O2/c1-3-25-28-22-8-7-21(32-20-10-13-29(14-11-20)17(2)26)16-23(22)30(25)12-4-5-18-15-19(27)6-9-24(18)31/h4-9,15-16,20,26,31H,3,10-14,27H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	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