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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 = 'BDBM50202891'   
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))		BDBM50202891
PNG
((R)-N-(3-(trifluoromethyl)benzyl)-5-(4-butylpipera...)
Show SMILES CCCCN1CCN(CC1)C(=O)CC[C@@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C41H46F3N5O5/c1-2-3-21-46-22-24-47(25-23-46)36(50)20-19-34(38(51)45-27-30-13-10-16-32(26-30)41(42,43)44)48-33(18-17-29-11-6-4-7-12-29)37(39(48)52)49-35(28-54-40(49)53)31-14-8-5-9-15-31/h4-18,26,33-35,37H,2-3,19-25,27-28H2,1H3,(H,45,51)/b18-17+/t33-,34-,35-,37+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 10.5n/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