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BDBM260285 US9522914, B-38

SMILES: COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(CC2)C(F)(F)F)cc1

InChI Key: InChIKey=TUICAKKQMNXGDF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 260285   
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


(Homo sapiens (Human))
BDBM260285
PNG
(US9522914, B-38)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H34F3N5O2/c1-19(2)32-25(37)18-36-27(22-5-4-6-24(17-22)38-3)33-26(34-36)21-9-7-20(8-10-21)11-14-35-15-12-23(13-16-35)28(29,30)31/h4-10,17,19,23H,11-16,18H2,1-3H3,(H,32,37)
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/a7.425



Taisho Pharmaceutical Co., Ltd

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260285
PNG
(US9522914, B-38)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H34F3N5O2/c1-19(2)32-25(37)18-36-27(22-5-4-6-24(17-22)38-3)33-26(34-36)21-9-7-20(8-10-21)11-14-35-15-12-23(13-16-35)28(29,30)31/h4-10,17,19,23H,11-16,18H2,1-3H3,(H,32,37)
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/a7.44



Taisho Pharmaceutical Co., Ltd

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair