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BDBM50121978 2-(6-Amino-3-imino-3H-xanthen-9-yl)-benzoic acid methyl ester::CHEMBL347534

SMILES: COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc12

InChI Key: InChIKey=FCGVBHISQBBIQF-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121978   
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
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50121978
PNG
(2-(6-Amino-3-imino-3H-xanthen-9-yl)-benzoic acid m...)
Show SMILES COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc12
Show InChI InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model


J Med Chem 45: 5671-86 (2002)


Article DOI: 10.1021/jm020941h
BindingDB Entry DOI: 10.7270/Q23B60VG
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50121978
PNG
(2-(6-Amino-3-imino-3H-xanthen-9-yl)-benzoic acid m...)
Show SMILES COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc12
Show InChI InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity model


J Med Chem 45: 5671-86 (2002)


Article DOI: 10.1021/jm020941h
BindingDB Entry DOI: 10.7270/Q23B60VG
More data for this
Ligand-Target Pair