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BDBM45650 (3Z)-1-allyl-5-(morpholin-4-ylsulfonyl)-1H-indole-2,3-dione 3-[N-(2-fluorophenyl)thiosemicarbazone]::1-(2-fluorophenyl)-3-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea::1-(2-fluorophenyl)-3-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea::1-(2-fluorophenyl)-3-[(Z)-[5-(4-morpholinylsulfonyl)-2-oxo-1-prop-2-enyl-3-indolylidene]amino]thiourea::1-[(Z)-(1-allyl-2-keto-5-morpholinosulfonyl-indolin-3-ylidene)amino]-3-(2-fluorophenyl)thiourea::MLS000673604::SMR000314845::cid_16194608

SMILES: Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=REWYLEITUFMHNR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 45650   
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
Importin subunit alpha-1


(Homo sapiens (Human))
BDBM45650
PNG
((3Z)-1-allyl-5-(morpholin-4-ylsulfonyl)-1H-indole-...)
Show SMILES Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 |w:11.11|
Show InChI InChI=1S/C22H22FN5O4S2/c1-2-9-28-19-8-7-15(34(30,31)27-10-12-32-13-11-27)14-16(19)20(21(28)29)25-26-22(33)24-18-6-4-3-5-17(18)23/h2-8,14H,1,9-13H2,(H2,24,26,33)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM45650
PNG
((3Z)-1-allyl-5-(morpholin-4-ylsulfonyl)-1H-indole-...)
Show SMILES Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 |w:11.11|
Show InChI InChI=1S/C22H22FN5O4S2/c1-2-9-28-19-8-7-15(34(30,31)27-10-12-32-13-11-27)14-16(19)20(21(28)29)25-26-22(33)24-18-6-4-3-5-17(18)23/h2-8,14H,1,9-13H2,(H2,24,26,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair