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BDBM115115 8-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(3-pyridinylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one::8-[[[1-(2-furfuryl)tetrazol-5-yl]methyl-(3-pyridylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one::8-[[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one::8-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one::8-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-pyridin-3-ylmethyl-amino]-methyl}-2,3-dihydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one::MLS000123066::SMR000123675::cid_1464423

SMILES: O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1nnnn1Cc1ccco1)Cc1cccnc1

InChI Key: InChIKey=UYQNUMNUSMQHHO-UHFFFAOYSA-N

Data: 2 IC50

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 = 115115   
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
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM115115
PNG
(8-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(3-py...)
Show SMILES O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1nnnn1Cc1ccco1)Cc1cccnc1
Show InChI InChI=1S/C25H23N7O4/c33-25-19(9-18-10-22-23(11-21(18)27-25)36-8-7-35-22)14-31(13-17-3-1-5-26-12-17)16-24-28-29-30-32(24)15-20-4-2-6-34-20/h1-6,9-12H,7-8,13-16H2,(H,27,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.39E+4n/an/an/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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM115115
PNG
(8-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(3-py...)
Show SMILES O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1nnnn1Cc1ccco1)Cc1cccnc1
Show InChI InChI=1S/C25H23N7O4/c33-25-19(9-18-10-22-23(11-21(18)27-25)36-8-7-35-22)14-31(13-17-3-1-5-26-12-17)16-24-28-29-30-32(24)15-20-4-2-6-34-20/h1-6,9-12H,7-8,13-16H2,(H,27,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.37E+4n/an/an/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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair