BDBM50253933 CHEMBL459524::Methyl 2-benzyl-3-{2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylamino}-3-oxopropanoate trifluoroacetate

SMILES: COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1

InChI Key: InChIKey=ZQSJJTDVDYTSRZ-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50253933   

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
Prothrombin (Homo sapiens (Human))	BDBM50253933 (CHEMBL459524 | Methyl 2-benzyl-3-{2-[(4-carbamimid...) Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-29(18-37-22-12-9-20(10-13-22)26(30)31)17-33(2)24-14-11-21(16-25(24)38-29)32-27(34)23(28(35)36-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17-18H2,1-3H3,(H3,30,31)(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50253933 (CHEMBL459524 | Methyl 2-benzyl-3-{2-[(4-carbamimid...) Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-29(18-37-22-12-9-20(10-13-22)26(30)31)17-33(2)24-14-11-21(16-25(24)38-29)32-27(34)23(28(35)36-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17-18H2,1-3H3,(H3,30,31)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb (Homo sapiens (Human))	BDBM50253933 (CHEMBL459524 | Methyl 2-benzyl-3-{2-[(4-carbamimid...) Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-29(18-37-22-12-9-20(10-13-22)26(30)31)17-33(2)24-14-11-21(16-25(24)38-29)32-27(34)23(28(35)36-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17-18H2,1-3H3,(H3,30,31)(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
					More data for this Ligand-Target Pair