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BDBM39865 1-(4-morpholinyl)-3-(N-phenylanilino)-2-propanol;hydrochloride::1-(diphenylamino)-3-morpholin-4-yl-propan-2-ol;hydrochloride::1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride::1-morpholino-3-(N-phenylanilino)propan-2-ol;hydrochloride::MLS000037915::SMR000057753::cid_2836178

SMILES: OC(CN(c1ccccc1)c1ccccc1)CN1CCOCC1

InChI Key: InChIKey=JLCNOUPZLKSARL-UHFFFAOYSA-N

Data: 1 IC50  1 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 = 39865   
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
Integrin alpha-4


(Homo sapiens (Human))
BDBM39865
PNG
(1-(4-morpholinyl)-3-(N-phenylanilino)-2-propanol;h...)
Show SMILES OC(CN(c1ccccc1)c1ccccc1)CN1CCOCC1
Show InChI InChI=1S/C19H24N2O2/c22-19(15-20-11-13-23-14-12-20)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,22H,11-16H2
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PC sid
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PCBioAssay
n/an/an/an/a 4.13E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H130FK
More data for this
Ligand-Target Pair
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide


(Homo sapiens (Human))
BDBM39865
PNG
(1-(4-morpholinyl)-3-(N-phenylanilino)-2-propanol;h...)
Show SMILES OC(CN(c1ccccc1)c1ccccc1)CN1CCOCC1
Show InChI InChI=1S/C19H24N2O2/c22-19(15-20-11-13-23-14-12-20)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,22H,11-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2V986FT
More data for this
Ligand-Target Pair