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BDBM288814 US10092551, Example 122

SMILES: O=C1N=C(SC1=C(c1ccc[nH]1)c1ccc[nH]1)N1CCC2(CC1)OCc1ccccc21

InChI Key: InChIKey=YIDQBZZICFKKGF-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288814   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM288814
PNG
(US10092551, Example 122)
Show SMILES O=C1N=C(SC1=C(c1ccc[nH]1)c1ccc[nH]1)N1CCC2(CC1)OCc1ccccc21 |c:2,(4.06,-2.69,;2.73,-1.92,;2.73,-.38,;1.26,.09,;.36,-1.15,;1.26,-2.4,;.87,-3.88,;-.62,-4.28,;-1.1,-5.75,;-2.64,-5.75,;-3.11,-4.28,;-1.87,-3.38,;1.96,-4.97,;1.48,-6.44,;2.73,-7.34,;3.97,-6.44,;3.5,-4.97,;.87,1.58,;1.96,2.67,;1.56,4.16,;.07,4.56,;-1.02,3.47,;-.62,1.98,;.97,5.8,;.07,7.05,;-1.4,6.57,;-2.73,7.34,;-4.06,6.57,;-4.06,5.03,;-2.73,4.26,;-1.4,5.03,)|
Show InChI InChI=1S/C24H22N4O2S/c29-22-21(20(18-7-3-11-25-18)19-8-4-12-26-19)31-23(27-22)28-13-9-24(10-14-28)17-6-2-1-5-16(17)15-30-24/h1-8,11-12,25-26H,9-10,13-15H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1 -12.3n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...

US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair