BDBM50337487 CHEMBL1682773::methyl 2-(4-chloro-2-(2-(3-(diisobutylcarbamoyl)-5-methylphenoxy)ethyl)phenoxy)acetate

SMILES: COC(=O)COc1ccc(Cl)cc1CCOc1cc(C)cc(c1)C(=O)N(CC(C)C)CC(C)C

InChI Key: InChIKey=JCOYICOWNXQLOH-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 = 50337487   

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))	BDBM50337487 (CHEMBL1682773 | methyl 2-(4-chloro-2-(2-(3-(diisob...) Show SMILES COC(=O)COc1ccc(Cl)cc1CCOc1cc(C)cc(c1)C(=O)N(CC(C)C)CC(C)C Show InChI InChI=1S/C27H36ClNO5/c1-18(2)15-29(16-19(3)4)27(31)22-11-20(5)12-24(14-22)33-10-9-21-13-23(28)7-8-25(21)34-17-26(30)32-6/h7-8,11-14,18-19H,9-10,15-17H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 21: 1536-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.105 BindingDB Entry DOI: 10.7270/Q2V1252F
					More data for this Ligand-Target Pair