BDBM50535485 CHEMBL4594145

SMILES: CC1(O)CC(c2c(O1)c1ccccc1oc2=O)/C1=C/C=C\C=C/C=C\1

InChI Key: InChIKey=LMJHSJCEICXGOL-UZDYRDJKSA-N

Data: 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 1 hit for monomerid = 50535485   

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
Vitamin K epoxide reductase complex subunit 1 (Homo sapiens (Human))	BDBM50535485 (CHEMBL4594145) Show SMILES CC1(O)CC(c2c(O1)c1ccccc1oc2=O)/C1=C/C=C\C=C/C=C\1 |c:22,24,26,t:20| Show InChI InChI=1S/C21H18O4/c1-21(23)13-16(14-9-5-3-2-4-6-10-14)18-19(25-21)15-11-7-8-12-17(15)24-20(18)22/h2-12,16,23H,13H2,1H3/b3-2-,4-2-,5-3-,6-4-,9-5-,10-6-,14-9+,14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for 48 hrs by ELISA				Bioorg Med Chem Lett 29: 1954-1956 (2019) Article DOI: 10.1016/j.bmcl.2019.05.039
					More data for this Ligand-Target Pair