BDBM50253934 2-Benzyl-3-{2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylamino}-3-oxopropanoic acid::CHEMBL517551

SMILES: CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)C(Cc3ccccc3)C(O)=O)ccc12

InChI Key: InChIKey=CLBIPVQEMSMMJN-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50253934   

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))	BDBM50253934 (2-Benzyl-3-{2-[(4-carbamimidoylphenoxy)methyl]-2,4...) Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)C(Cc3ccccc3)C(O)=O)ccc12 Show InChI InChI=1S/C28H30N4O5/c1-28(17-36-21-11-8-19(9-12-21)25(29)30)16-32(2)23-13-10-20(15-24(23)37-28)31-26(33)22(27(34)35)14-18-6-4-3-5-7-18/h3-13,15,22H,14,16-17H2,1-2H3,(H3,29,30)(H,31,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+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