BDBM50202864 4-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]piperidin-1-ium::CHEMBL394829

SMILES: NC1CC[N+](Cc2ccccc2)(CC1)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=STADNAVZDNIDMI-LFHILHRMSA-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 = 50202864   

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))	BDBM50202864 (4-amino-1-benzyl-1-[(3S)-3-[(3S,4R)-2-oxo-3-[(4S)-...) Show SMILES NC1CC[N+](Cc2ccccc2)(CC1)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 |wU:19.21,28.31,30.38,17.19,(23.16,5.98,;23.43,4.47,;24.88,3.94,;25.14,2.42,;23.96,1.43,;25.14,.44,;26.59,.98,;27.76,-.01,;29.21,.51,;29.48,2.02,;28.3,3.02,;26.85,2.49,;22.52,1.97,;22.24,3.48,;23.19,.1,;23.96,-1.23,;21.65,.1,;20.88,-1.23,;19.35,-1.23,;18.25,-.14,;18.25,1.4,;19.59,2.17,;19.59,3.71,;20.92,4.47,;20.92,6.02,;19.59,6.78,;18.25,6.02,;18.25,4.47,;17.17,-1.23,;15.63,-1.23,;14.72,-2.47,;13.26,-1.99,;13.26,-.46,;14.72,.02,;15.2,1.48,;15.2,-3.94,;14.17,-5.08,;14.64,-6.54,;16.15,-6.86,;17.18,-5.72,;16.71,-4.26,;18.25,-2.32,;18.25,-3.85,;21.65,-2.56,;20.88,-3.89,;23.19,-2.56,;23.97,-3.89,;25.5,-3.89,;26.28,-2.56,;27.81,-2.56,;28.59,-3.89,;27.81,-5.23,;26.28,-5.23,;28.59,-6.56,;29.92,-5.79,;27.25,-7.33,;29.35,-7.89,)| Show InChI InChI=1S/C44H44F3N5O5/c45-44(46,47)34-18-10-15-32(25-34)27-49-41(54)37(26-39(53)52(23-21-35(48)22-24-52)28-31-13-6-2-7-14-31)50-36(20-19-30-11-4-1-5-12-30)40(42(50)55)51-38(29-57-43(51)56)33-16-8-3-9-17-33/h1-20,25,35-38,40H,21-24,26-29,48H2/p+1/b20-19+/t35?,36-,37+,38-,40+,52?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13	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