BDBM50202911 CHEMBL241866::benzyl 2-((4R)-3-acetamido-2-oxo-4-((E)-styryl)azetidin-1-yl)-2-(2-methyl-1,3-dioxolan-2-yl)acetate

SMILES: CC(=O)NC1[C@@H](\C=C\c2ccccc2)N(C(C(=O)OCc2ccccc2)C2(C)OCCO2)C1=O

InChI Key: InChIKey=QMRJUPVBBVCCGS-QZKRQQONSA-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 = 50202911   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202911 (CHEMBL241866 | benzyl 2-((4R)-3-acetamido-2-oxo-4-...) Show SMILES CC(=O)NC1[C@@H](\C=C\c2ccccc2)N(C(C(=O)OCc2ccccc2)C2(C)OCCO2)C1=O |w:4.3,15.15| Show InChI InChI=1S/C26H28N2O6/c1-18(29)27-22-21(14-13-19-9-5-3-6-10-19)28(24(22)30)23(26(2)33-15-16-34-26)25(31)32-17-20-11-7-4-8-12-20/h3-14,21-23H,15-17H2,1-2H3,(H,27,29)/b14-13+/t21-,22?,23?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
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