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BDBM75713 (2E)-7-(diethylamino)-2-(isonicotinoylhydrazono)-2H-chromene-3-carboxamide::MLS000720220::N-[[3-aminocarbonyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide::N-[[3-carbamoyl-7-(diethylamino)-1-benzopyran-2-ylidene]amino]-4-pyridinecarboxamide::N-[[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]isonicotinamide::N-[[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide::SMR000304749::cid_4646908

SMILES: CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccncc3)oc2c1

InChI Key: InChIKey=PXJWYMYEBFOTLA-UHFFFAOYSA-N

Data: 2 EC50

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 = 75713   
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


(Homo sapiens (Human))
BDBM75713
PNG
((2E)-7-(diethylamino)-2-(isonicotinoylhydrazono)-2...)
Show SMILES CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccncc3)oc2c1
Show InChI InChI=1S/C20H21N5O3/c1-3-25(4-2)15-6-5-14-11-16(18(21)26)20(28-17(14)12-15)24-23-19(27)13-7-9-22-10-8-13/h5-12H,3-4H2,1-2H3,(H2,21,26)(H,23,27)
PDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21834Z1
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM75713
PNG
((2E)-7-(diethylamino)-2-(isonicotinoylhydrazono)-2...)
Show SMILES CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccncc3)oc2c1
Show InChI InChI=1S/C20H21N5O3/c1-3-25(4-2)15-6-5-14-11-16(18(21)26)20(28-17(14)12-15)24-23-19(27)13-7-9-22-10-8-13/h5-12H,3-4H2,1-2H3,(H2,21,26)(H,23,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.86E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2513WNX
More data for this
Ligand-Target Pair