BDBM50112505 4-Hydroxy-3-{3-[4-(1-methyl-piperidin-4-yloxy)-3-trifluoromethyl-phenylamino]-propenyl}-benzamidine::CHEMBL24956

SMILES: CN1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F

InChI Key: InChIKey=RUYKLYHEIHLGDA-NSCUHMNNSA-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 = 50112505   

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))	BDBM50112505 (4-Hydroxy-3-{3-[4-(1-methyl-piperidin-4-yloxy)-3-t...) Show SMILES CN1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2/c1-30-11-8-18(9-12-30)32-21-7-5-17(14-19(21)23(24,25)26)29-10-2-3-15-13-16(22(27)28)4-6-20(15)31/h2-7,13-14,18,29,31H,8-12H2,1H3,(H3,27,28)/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	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))	BDBM50112505 (4-Hydroxy-3-{3-[4-(1-methyl-piperidin-4-yloxy)-3-t...) Show SMILES CN1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2/c1-30-11-8-18(9-12-30)32-21-7-5-17(14-19(21)23(24,25)26)29-10-2-3-15-13-16(22(27)28)4-6-20(15)31/h2-7,13-14,18,29,31H,8-12H2,1H3,(H3,27,28)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	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))	BDBM50112505 (4-Hydroxy-3-{3-[4-(1-methyl-piperidin-4-yloxy)-3-t...) Show SMILES CN1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2/c1-30-11-8-18(9-12-30)32-21-7-5-17(14-19(21)23(24,25)26)29-10-2-3-15-13-16(22(27)28)4-6-20(15)31/h2-7,13-14,18,29,31H,8-12H2,1H3,(H3,27,28)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.82E+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