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SMILES: FC(F)(F)c1cccc(CNC(=O)[C@@H](CC(=O)N2CCC(CN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1

InChI Key: InChIKey=JVSWIAFZENEMCT-HSRKOBERSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202842   
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))		BDBM50202842
PNG
((R)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H](CC(=O)N2CCC(CN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)34-16-10-13-32(25-34)27-47-40(53)36(26-38(52)49-23-19-31(20-24-49)28-48-21-8-3-9-22-48)50-35(18-17-30-11-4-1-5-12-30)39(41(50)54)51-37(29-56-42(51)55)33-14-6-2-7-15-33/h1-2,4-7,10-18,25,31,35-37,39H,3,8-9,19-24,26-29H2,(H,47,53)/b18-17+/t35-,36-,37-,39+/m1/s1
PDB

UniProtKB/SwissProt

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UniChem

Similars
Article
PubMed
 3.70n/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