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SMILES: COc1cccc(c1)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3C4CCC3COC4)cc2)c1=O

InChI Key: InChIKey=AXMBUGATQYFCJJ-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 = 260318   
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))
BDBM260318
PNG
(US9522914, D-07)
Show SMILES COc1cccc(c1)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3C4CCC3COC4)cc2)c1=O |TLB:25:26:33.32.31:28.29|
Show InChI InChI=1S/C29H37N5O4/c1-29(2,3)30-27(35)17-26-31-34(28(36)33(26)22-6-5-7-25(16-22)37-4)21-10-8-20(9-11-21)14-15-32-23-12-13-24(32)19-38-18-23/h5-11,16,23-24H,12-15,17-19H2,1-4H3,(H,30,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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))
BDBM260318
PNG
(US9522914, D-07)
Show SMILES COc1cccc(c1)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3C4CCC3COC4)cc2)c1=O |TLB:25:26:33.32.31:28.29|
Show InChI InChI=1S/C29H37N5O4/c1-29(2,3)30-27(35)17-26-31-34(28(36)33(26)22-6-5-7-25(16-22)37-4)21-10-8-20(9-11-21)14-15-32-23-12-13-24(32)19-38-18-23/h5-11,16,23-24H,12-15,17-19H2,1-4H3,(H,30,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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