BDBM50253899 CHEMBL512630::Ethyl 4-(benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl}amino)-4-oxobutanoate trifluoroacetate

SMILES: CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1

InChI Key: InChIKey=MTTOKWJETCFANC-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 = 50253899   

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))	BDBM50253899 (CHEMBL512630 | Ethyl 4-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-27-26(18-24)34(3)20-31(2,40-27)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	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))	BDBM50253899 (CHEMBL512630 | Ethyl 4-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-27-26(18-24)34(3)20-31(2,40-27)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.77E+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))	BDBM50253899 (CHEMBL512630 | Ethyl 4-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-27-26(18-24)34(3)20-31(2,40-27)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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