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BDBM50202849 CHEMBL439398::N-(3-(trifluoromethyl)benzyl)-3-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-3-(4-(piperidin-1-yl)piperidin-1-yl)propanamide

SMILES: FC(F)(F)c1cccc(CNC(=O)C(N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)C(=O)N2CCC(CC2)N2CCCCC2)c1

InChI Key: InChIKey=DJYQLAOOBVDRBM-MPZMDCQJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202849   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50202849
PNG
(CHEMBL439398 | N-(3-(trifluoromethyl)benzyl)-3-oxo...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C(N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)C(=O)N2CCC(CC2)N2CCCCC2)c1 |w:13.13|
Show InChI InChI=1S/C41H44F3N5O5/c42-41(43,44)31-16-10-13-29(25-31)26-45-37(50)36(38(51)47-23-19-32(20-24-47)46-21-8-3-9-22-46)48-33(18-17-28-11-4-1-5-12-28)35(39(48)52)49-34(27-54-40(49)53)30-14-6-2-7-15-30/h1-2,4-7,10-18,25,32-36H,3,8-9,19-24,26-27H2,(H,45,50)/b18-17+/t33-,34-,35+,36?/m1/s1
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.39n/an/an/an/an/an/an/an/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