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2 similar compounds to monomer 50246923

Compile data set for download or QSAR
Wt: 435.4
BDBM50246890
Wt: 453.4
BDBM50246922

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50246890,50246922   
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
Oxytocin receptor


(HEK293)
BDBM50246890
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]benzoyl)-...)
Show SMILES Fc1cccc(F)c1NC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H23F2N3O2/c26-20-8-5-9-21(27)23(20)29-25(32)28-16-17-11-13-19(14-12-17)24(31)30-15-4-3-7-18-6-1-2-10-22(18)30/h1-2,5-6,8-14H,3-4,7,15-16H2,(H2,28,29,32)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to oxytocin receptor (unknown origin)


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50246922
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-2-fluoro...)
Show SMILES Fc1cc(CNC(=O)Nc2c(F)cccc2F)ccc1C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H22F3N3O2/c26-19-8-5-9-20(27)23(19)30-25(33)29-15-16-11-12-18(21(28)14-16)24(32)31-13-4-3-7-17-6-1-2-10-22(17)31/h1-2,5-6,8-12,14H,3-4,7,13,15H2,(H2,29,30,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 180n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50246890
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]benzoyl)-...)
Show SMILES Fc1cccc(F)c1NC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H23F2N3O2/c26-20-8-5-9-21(27)23(20)29-25(32)28-16-17-11-13-19(14-12-17)24(31)30-15-4-3-7-18-6-1-2-10-22(18)30/h1-2,5-6,8-14H,3-4,7,15-16H2,(H2,28,29,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 47n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair