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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 = 'BDBM50202917'   
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))		BDBM50202917
PNG
(CHEMBL389581 | benzyl 2-((2R,3S)-2-((E)-2-(furan-2...)
Show SMILES CC(C)(C)C(=O)C(N1[C@H](\C=C\c2ccco2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)OCc1ccccc1 |w:6.6|
Show InChI InChI=1S/C32H32N2O7/c1-32(2,3)28(35)27(30(37)40-19-21-11-6-4-7-12-21)33-24(17-16-23-15-10-18-39-23)26(29(33)36)34-25(20-41-31(34)38)22-13-8-5-9-14-22/h4-18,24-27H,19-20H2,1-3H3/b17-16+/t24-,25-,26+,27?/m1/s1
PDB

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Similars
Article
PubMed
n/an/a 2n/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