BDBM75538 (Z)-2-butenedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine::(Z)-but-2-enedioic acid;1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine::(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine::1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;maleic acid::1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine::MLS000547068::SMR000113867::cid_9549749

SMILES Clc1ccc2Sc3ccccc3CC(N3CCNCC3)c2c1

InChI Key InChIKey=YITAORWEHMMACD-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 75538   

TargetVasopressin V1a receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75538((Z)-2-butenedioic acid;1-(3-chloro-5,6-dihydrobenz...)
Affinity DataEC50:  2.13E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOxytocin receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75538((Z)-2-butenedioic acid;1-(3-chloro-5,6-dihydrobenz...)
Affinity DataEC50: >9.97E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay