BDBM50253313 4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylamino}-4-oxobutanoic acid::CHEMBL493094

SMILES: CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12

InChI Key: InChIKey=UTTIMXNRMSCOLR-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 = 50253313   

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))	BDBM50253313 (4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl...) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12 Show InChI InChI=1S/C22H26N4O5/c1-22(13-30-16-6-3-14(4-7-16)21(23)24)12-26(2)17-8-5-15(11-18(17)31-22)25-19(27)9-10-20(28)29/h3-8,11H,9-10,12-13H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.16E+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))	BDBM50253313 (4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl...) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12 Show InChI InChI=1S/C22H26N4O5/c1-22(13-30-16-6-3-14(4-7-16)21(23)24)12-26(2)17-8-5-15(11-18(17)31-22)25-19(27)9-10-20(28)29/h3-8,11H,9-10,12-13H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.38E+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))	BDBM50253313 (4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl...) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12 Show InChI InChI=1S/C22H26N4O5/c1-22(13-30-16-6-3-14(4-7-16)21(23)24)12-26(2)17-8-5-15(11-18(17)31-22)25-19(27)9-10-20(28)29/h3-8,11H,9-10,12-13H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+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