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BDBM67160 2-Methyl-5-oxo-4,7-di-thiophen-2-yl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester::2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester::5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester::MLS000121099::SMR000118503::cid_3146836::ethyl 2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::ethyl 2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

SMILES: CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C

InChI Key: InChIKey=VHJKZXGRUQSYJS-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 67160   
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))
BDBM67160
PNG
(2-Methyl-5-oxo-4,7-di-thiophen-2-yl-1,4,5,6,7,8-he...)
Show SMILES CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C21H21NO3S2/c1-3-25-21(24)18-12(2)22-14-10-13(16-6-4-8-26-16)11-15(23)19(14)20(18)17-7-5-9-27-17/h4-9,13,18,20H,3,10-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.84E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM67160
PNG
(2-Methyl-5-oxo-4,7-di-thiophen-2-yl-1,4,5,6,7,8-he...)
Show SMILES CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C21H21NO3S2/c1-3-25-21(24)18-12(2)22-14-10-13(16-6-4-8-26-16)11-15(23)19(14)20(18)17-7-5-9-27-17/h4-9,13,18,20H,3,10-11H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 3.93E+4n/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, C...


PubChem Bioassay (2010)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2SN07DK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67160
PNG
(2-Methyl-5-oxo-4,7-di-thiophen-2-yl-1,4,5,6,7,8-he...)
Show SMILES CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C21H21NO3S2/c1-3-25-21(24)18-12(2)22-14-10-13(16-6-4-8-26-16)11-15(23)19(14)20(18)17-7-5-9-27-17/h4-9,13,18,20H,3,10-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 3.60E+4n/an/an/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, C...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair