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BDBM50178184 CHEMBL200682::N-(4-chloro-2-methylphenyl)-2-(N-(4-methoxyphenyl)phenylsulfonamido)acetamide

SMILES: COc1ccc(cc1)N(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=AZWCDJJIOYIMQH-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 = 50178184   
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))
BDBM50178184
PNG
(CHEMBL200682 | N-(4-chloro-2-methylphenyl)-2-(N-(4...)
Show SMILES COc1ccc(cc1)N(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H21ClN2O4S/c1-16-14-17(23)8-13-21(16)24-22(26)15-25(18-9-11-19(29-2)12-10-18)30(27,28)20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
70n/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)
BDBM50178184
PNG
(CHEMBL200682 | N-(4-chloro-2-methylphenyl)-2-(N-(4...)
Show SMILES COc1ccc(cc1)N(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H21ClN2O4S/c1-16-14-17(23)8-13-21(16)24-22(26)15-25(18-9-11-19(29-2)12-10-18)30(27,28)20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
800n/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