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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM35666'   
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))
BDBM35666
PNG
(BMC173130 Compound 1t | benzazepinelidene acetamid...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H23ClF2N4O3/c1-16-8-11-32(30-16)17-6-7-19(21(26)14-17)24(35)31-12-9-25(27,28)20(15-23(34)29-10-13-33)18-4-2-3-5-22(18)31/h2-8,11,14-15,33H,9-10,12-13H2,1H3,(H,29,34)/b20-15-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
28 -43.1n/an/an/an/an/an/a25



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35666
PNG
(BMC173130 Compound 1t | benzazepinelidene acetamid...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H23ClF2N4O3/c1-16-8-11-32(30-16)17-6-7-19(21(26)14-17)24(35)31-12-9-25(27,28)20(15-23(34)29-10-13-33)18-4-2-3-5-22(18)31/h2-8,11,14-15,33H,9-10,12-13H2,1H3,(H,29,34)/b20-15-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
28 -42.8n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair