BDBM50202844 (3S)-3-amino-1-benzyl-1-[(3S)-3-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propanoyl]pyrrolidin-1-ium::CHEMBL388258

SMILES: N[C@H]1CC[N+](Cc2ccccc2)(C1)C(=O)C[C@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=LGFIAHMCUPANBI-JPHGWDDVSA-O

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 = 50202844   

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))	BDBM50202844 ((3S)-3-amino-1-benzyl-1-[(3S)-3-[(3S,4R)-2-oxo-3-[...) Show SMILES N[C@H]1CC[N+](Cc2ccccc2)(C1)C(=O)C[C@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |w:4.4| Show InChI InChI=1S/C43H42F3N5O5/c44-43(45,46)33-18-10-15-31(23-33)25-48-40(53)36(24-38(52)51(22-21-34(47)27-51)26-30-13-6-2-7-14-30)49-35(20-19-29-11-4-1-5-12-29)39(41(49)54)50-37(28-56-42(50)55)32-16-8-3-9-17-32/h1-20,23,34-37,39H,21-22,24-28,47H2/p+1/b20-19+/t34-,35+,36-,37+,39-,51?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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