BDBM50253858 CHEMBL461210::Ethyl 2-(benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl}amino)-2-oxoacetate

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

InChI Key: InChIKey=LXGVFBXRKSCESU-UHFFFAOYSA-N

Data: 4 KI  3 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 7 hits for monomerid = 50253858   

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))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	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 using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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 using S-2222 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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 Displacement of biotinylated fibrinogen from human alpha5-beta3 receptor after 2 hrs by chemiluminescence assay				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair
Integrin alpha-IIb (Homo sapiens (Human))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50253858 (CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...) Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of biotinylated fibrinogen from human alpha2b-beta3 receptor after 2 hrs by chemiluminescence assay				Eur J Med Chem 50: 255-63 (2012) Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V
					More data for this Ligand-Target Pair