BDBM50112489 CHEMBL277424::N-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-N-[4-(1-methyl-piperidin-4-yloxy)-3-trifluoromethyl-phenyl]-succinamic acid

SMILES: CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O

InChI Key: InChIKey=NKSLZFJLSABSEY-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 = 50112489   

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))	BDBM50112489 (CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...) Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.280	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 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))	BDBM50112489 (CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...) Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	765	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))	BDBM50112489 (CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...) Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+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