BDBM50112497 CHEMBL26240::N-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-N-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-3-trifluoromethyl-phenyl}-succinamic acid

SMILES: CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(CC=Cc1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O

InChI Key: InChIKey=IPLPSOBFFRGWMN-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 = 50112497   

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))	BDBM50112497 (CHEMBL26240 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(CC=Cc1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O |w:23.25| Show InChI InChI=1S/C28H32F3N5O5/c1-17(32)35-13-10-21(11-14-35)41-24-7-5-20(16-22(24)28(29,30)31)36(25(38)8-9-26(39)40)12-2-3-18-15-19(27(33)34)4-6-23(18)37/h2-7,15-16,21,32,37H,8-14H2,1H3,(H3,33,34)(H,39,40)	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))	BDBM50112497 (CHEMBL26240 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(CC=Cc1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O |w:23.25| Show InChI InChI=1S/C28H32F3N5O5/c1-17(32)35-13-10-21(11-14-35)41-24-7-5-20(16-22(24)28(29,30)31)36(25(38)8-9-26(39)40)12-2-3-18-15-19(27(33)34)4-6-23(18)37/h2-7,15-16,21,32,37H,8-14H2,1H3,(H3,33,34)(H,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	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))	BDBM50112497 (CHEMBL26240 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(CC=Cc1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O |w:23.25| Show InChI InChI=1S/C28H32F3N5O5/c1-17(32)35-13-10-21(11-14-35)41-24-7-5-20(16-22(24)28(29,30)31)36(25(38)8-9-26(39)40)12-2-3-18-15-19(27(33)34)4-6-23(18)37/h2-7,15-16,21,32,37H,8-14H2,1H3,(H3,33,34)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.14E+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