BDBM50112492 CHEMBL26287::N-[3-(3-Carbamimidoyl-phenyl)-allyl]-N-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-3-trifluoromethyl-phenyl}-succinamic acid ethyl ester

SMILES: CCOC(=O)CCC(=O)N(C\C=C\c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F

InChI Key: InChIKey=JGKDGRZVRGTIIF-OQASYWHQSA-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 = 50112492   

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))	BDBM50112492 (CHEMBL26287 | N-[3-(3-Carbamimidoyl-phenyl)-allyl]...) Show SMILES CCOC(=O)CCC(=O)N(C\C=C\c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F3N5O4/c1-3-41-28(40)12-11-27(39)38(15-5-7-21-6-4-8-22(18-21)29(35)36)23-9-10-26(25(19-23)30(31,32)33)42-24-13-16-37(17-14-24)20(2)34/h4-10,18-19,24,34H,3,11-17H2,1-2H3,(H3,35,36)/b7-5+,34-20?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.550	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))	BDBM50112492 (CHEMBL26287 | N-[3-(3-Carbamimidoyl-phenyl)-allyl]...) Show SMILES CCOC(=O)CCC(=O)N(C\C=C\c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F3N5O4/c1-3-41-28(40)12-11-27(39)38(15-5-7-21-6-4-8-22(18-21)29(35)36)23-9-10-26(25(19-23)30(31,32)33)42-24-13-16-37(17-14-24)20(2)34/h4-10,18-19,24,34H,3,11-17H2,1-2H3,(H3,35,36)/b7-5+,34-20?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	76	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))	BDBM50112492 (CHEMBL26287 | N-[3-(3-Carbamimidoyl-phenyl)-allyl]...) Show SMILES CCOC(=O)CCC(=O)N(C\C=C\c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F3N5O4/c1-3-41-28(40)12-11-27(39)38(15-5-7-21-6-4-8-22(18-21)29(35)36)23-9-10-26(25(19-23)30(31,32)33)42-24-13-16-37(17-14-24)20(2)34/h4-10,18-19,24,34H,3,11-17H2,1-2H3,(H3,35,36)/b7-5+,34-20?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+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