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BDBM50178200 CHEMBL200415::N-(3-chloro-2-methylphenyl)-2-(N-p-tolylphenylsulfonamido)acetamide

SMILES: Cc1ccc(cc1)N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=LSMUFSNEUYKRBE-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50178200   
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)
BDBM50178200
PNG
(CHEMBL200415 | N-(3-chloro-2-methylphenyl)-2-(N-p-...)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H21ClN2O3S/c1-16-11-13-18(14-12-16)25(29(27,28)19-7-4-3-5-8-19)15-22(26)24-21-10-6-9-20(23)17(21)2/h3-14H,15H2,1-2H3,(H,24,26)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
93n/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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178200
PNG
(CHEMBL200415 | N-(3-chloro-2-methylphenyl)-2-(N-p-...)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H21ClN2O3S/c1-16-11-13-18(14-12-16)25(29(27,28)19-7-4-3-5-8-19)15-22(26)24-21-10-6-9-20(23)17(21)2/h3-14H,15H2,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/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