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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Riboflavin-binding protein' and Ligand = 'BDBM50015214'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Riboflavin-binding protein


(Gallus gallus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.70E+3n/an/an/an/an/an/an/an/a



Calvin College

Curated by ChEMBL


Assay Description
Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair
Riboflavin-binding protein


(Gallus gallus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 264n/an/an/a7.4n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calori...


ACS Med Chem Lett 2: 363-367 (2011)


Article DOI: 10.1021/ml100296z
BindingDB Entry DOI: 10.7270/Q2SX6DP8
More data for this
Ligand-Target Pair