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BDBM50178176 CHEMBL373167::N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide

SMILES: COc1ccc(cc1)N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=BZGWOAPYSQGIIV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50178176   
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 V1a receptor


(Homo sapiens (Human))
BDBM50178176
PNG
(CHEMBL373167 | N-(2-(3,4-dihydroisoquinolin-2(1H)-...)
Show SMILES COc1ccc(cc1)N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c1-30-22-13-11-21(12-14-22)26(31(28,29)23-9-3-2-4-10-23)18-24(27)25-16-15-19-7-5-6-8-20(19)17-25/h2-14H,15-18H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
115n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178176
PNG
(CHEMBL373167 | N-(2-(3,4-dihydroisoquinolin-2(1H)-...)
Show SMILES COc1ccc(cc1)N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c1-30-22-13-11-21(12-14-22)26(31(28,29)23-9-3-2-4-10-23)18-24(27)25-16-15-19-7-5-6-8-20(19)17-25/h2-14H,15-18H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair