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BDBM76101 3-[[1-(1-benzyltetrazol-5-yl)propyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one::3-[[1-(1-benzyltetrazol-5-yl)propyl-(tetrahydrofurfuryl)amino]methyl]-6-methoxy-carbostyril::3-{[[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-6-methoxy-1H-quinolin-2-one::6-methoxy-3-[[2-oxolanylmethyl-[1-[1-(phenylmethyl)-5-tetrazolyl]propyl]amino]methyl]-1H-quinolin-2-one::6-methoxy-3-[[oxolan-2-ylmethyl-[1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one::MLS000072901::SMR000004378::cid_650092

SMILES: CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1

InChI Key: InChIKey=GGNAEMSQXQYFTF-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 = 76101   
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
Apelin receptor


(Homo sapiens (Human))
BDBM76101
PNG
(3-[[1-(1-benzyltetrazol-5-yl)propyl-(oxolan-2-ylme...)
Show SMILES CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C27H32N6O3/c1-3-25(26-29-30-31-33(26)16-19-8-5-4-6-9-19)32(18-23-10-7-13-36-23)17-21-14-20-15-22(35-2)11-12-24(20)28-27(21)34/h4-6,8-9,11-12,14-15,23,25H,3,7,10,13,16-18H2,1-2H3,(H,28,34)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NV9GP9
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76101
PNG
(3-[[1-(1-benzyltetrazol-5-yl)propyl-(oxolan-2-ylme...)
Show SMILES CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C27H32N6O3/c1-3-25(26-29-30-31-33(26)16-19-8-5-4-6-9-19)32(18-23-10-7-13-36-23)17-21-14-20-15-22(35-2)11-12-24(20)28-27(21)34/h4-6,8-9,11-12,14-15,23,25H,3,7,10,13,16-18H2,1-2H3,(H,28,34)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair