null

SMILES: CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N

InChI Key: InChIKey=JOJOIJJNZOVEKT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112510   

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))	BDBM50112510 (4'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50112510 (4'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against trypsin (Trp)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112510 (4'-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy...) Show SMILES CCc1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc(cc1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Tested in vitro for the selectivity against thrombin (IIa)				Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP
					More data for this Ligand-Target Pair