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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 = 'BDBM50202854'   
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))		BDBM50202854
PNG
((S)-benzyl 4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-...)
Show SMILES CC(C)C[C@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H34N2O5/c1-23(2)20-28(32(37)39-21-25-14-8-4-9-15-25)34-27(19-18-24-12-6-3-7-13-24)30(31(34)36)35-29(22-40-33(35)38)26-16-10-5-11-17-26/h3-19,23,27-30H,20-22H2,1-2H3/b19-18+/t27-,28+,29-,30+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 39n/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