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SMILES: CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cn1

InChI Key: InChIKey=LCQKUFOVOHVCQA-UHFFFAOYSA-N

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 = 260225   
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))
BDBM260225
PNG
(US9522914, A-27)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1S/C27H32ClN5O2/c1-18(2)30-26(34)15-32-14-25(31-27(32)20-4-3-5-21(28)12-20)24-9-6-19(13-29-24)10-11-33-22-7-8-23(33)17-35-16-22/h3-6,9,12-14,18,22-23H,7-8,10-11,15-17H2,1-2H3,(H,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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))
BDBM260225
PNG
(US9522914, A-27)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1S/C27H32ClN5O2/c1-18(2)30-26(34)15-32-14-25(31-27(32)20-4-3-5-21(28)12-20)24-9-6-19(13-29-24)10-11-33-22-7-8-23(33)17-35-16-22/h3-6,9,12-14,18,22-23H,7-8,10-11,15-17H2,1-2H3,(H,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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