new BindingDB logo
myBDB logout

BDBM29214 casimiroin analogue, 1c::cid_69088

SMILES: Cc1cc(=O)[nH]c2ccccc12

InChI Key: InChIKey=APLVPBUBDFWWAD-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 29214   
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
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM29214
PNG
(casimiroin analogue, 1c | cid_69088)
Show SMILES Cc1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>5.00E+5n/an/an/an/a7.523



Purdue University



Assay Description
The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...


J Med Chem 52: 1873-84 (2009)


Article DOI: 10.1021/jm801335z
BindingDB Entry DOI: 10.7270/Q2NP22RV
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM29214
PNG
(casimiroin analogue, 1c | cid_69088)
Show SMILES Cc1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM29214
PNG
(casimiroin analogue, 1c | cid_69088)
Show SMILES Cc1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.26E+5n/an/an/an/an/an/a



Purdue University



Assay Description
Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...


J Med Chem 52: 1873-84 (2009)


Article DOI: 10.1021/jm801335z
BindingDB Entry DOI: 10.7270/Q2NP22RV
More data for this
Ligand-Target Pair