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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50202869'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50202869
PNG
((S)-N-(2-(trifluoromethyl)benzyl)-5-(4-cyclohexylp...)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)[C@H](CCC(=O)N1CCN(CC1)C1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O
Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)34-19-11-10-16-32(34)28-47-40(53)36(22-23-38(52)49-26-24-48(25-27-49)33-17-8-3-9-18-33)50-35(21-20-30-12-4-1-5-13-30)39(41(50)54)51-37(29-56-42(51)55)31-14-6-2-7-15-31/h1-2,4-7,10-16,19-21,33,35-37,39H,3,8-9,17-18,22-29H2,(H,47,53)/b21-20+/t35-,36+,37-,39+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.930n/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