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BDBM50408935 CHEMBL2079628

SMILES: CC[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O

InChI Key: InChIKey=DQDAYGNAKTZFIW-CYBMUJFWSA-N

Data: 2 KI

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 = 50408935   
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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50408935
PNG
(CHEMBL2079628)
Show SMILES CC[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
500n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity was measured on Cytochrome P450 2C9


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50408935
PNG
(CHEMBL2079628)
Show SMILES CC[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity was measured on Cytochrome P450 2C9


Citation and Details
More data for this
Ligand-Target Pair