BindingDB logo
myBDB logout

BDBM175034 US9688678, 7 (+-)-3-(2-ethoxy-4-fluoro-phenyl)-1-[(5-methoxy-2-pyridyl)sulfonyl]-3-[2-(1-methyl-4-piperidyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2-oxo-indoline-5-carbonitrile

SMILES: COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1ccc(F)cc1OC)C#N

InChI Key: InChIKey=GSOWLCPSEKLTOI-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 175034   
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 V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175034
PNG
(US9688678, 7 (+-)-3-(2-ethoxy-4-fluoro-phenyl)-1-[...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1ccc(F)cc1OC)C#N |c:14,16|
Show InChI InChI=1S/C33H37FN6O5S/c1-37-12-10-24(11-13-37)38-18-32(19-38)20-39(21-32)33(26-7-5-23(34)15-29(26)45-3)27-14-22(16-35)4-8-28(27)40(31(33)41)46(42,43)30-9-6-25(44-2)17-36-30/h4-9,14-15,17,24,27-28H,10-13,18-21H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.5 -11.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair