BDBM50202872 (S)-N1-(3-(trifluoromethyl)benzyl)-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-N5-(2-(piperidin-1-yl)ethyl)pentanediamide::CHEMBL427816

SMILES: FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)NCCN2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1

InChI Key: InChIKey=ZVAVUJMYZHTFDE-SUOHFUSSSA-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 = 50202872   

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))	BDBM50202872 ((S)-N1-(3-(trifluoromethyl)benzyl)-2-((3S,4R)-2-ox...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)NCCN2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C40H44F3N5O5/c41-40(42,43)31-16-10-13-29(25-31)26-45-37(50)33(19-20-35(49)44-21-24-46-22-8-3-9-23-46)47-32(18-17-28-11-4-1-5-12-28)36(38(47)51)48-34(27-53-39(48)52)30-14-6-2-7-15-30/h1-2,4-7,10-18,25,32-34,36H,3,8-9,19-24,26-27H2,(H,44,49)(H,45,50)/b18-17+/t32-,33+,34-,36+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	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
					More data for this Ligand-Target Pair