BDBM50112491 4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-3-trifluoromethyl-phenylamino}-propenyl)-benzamidine::CHEMBL423656

SMILES: CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F

InChI Key: InChIKey=WSZSQGHQATUDOF-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 = 50112491   

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))	BDBM50112491 (4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F |w:17.18| Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30)	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 Competitive inhibition of coagulation factor Xa				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50112491 (4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F |w:17.18| Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Competitive inhibition of trypsin				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112491 (4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F |w:17.18| Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Competitive inhibition of coagulation factor IIa				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
					More data for this Ligand-Target Pair