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Compile Data Set for Download or QSAR

Found 8 hits of kd data for polymerid = 50004918   
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
Riboflavin-binding protein


(Gallus gallus)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r|
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
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PubMed
n/an/an/a 5n/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
Riboflavin-binding protein


(Gallus gallus)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r|
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
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Article
PubMed
n/an/an/a 6.60n/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 0.1 M phosphate buffer by isothermal titration ...


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)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r|
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
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Article
PubMed
n/an/an/a 34n/an/an/a9.0n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 9 in 0.1 M Tris by isothermal titration calorimetric a...


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)
BDBM50362895
PNG
(Lactoflavin | RIBOFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r|
Show InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
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n/an/an/a 46n/an/an/a4.0n/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 4 in 0.1 M NaAc by isothermal titration calorimetric a...


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)
BDBM50362897
PNG
(LUMIFLAVIN)
Show SMILES Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C
Show InChI InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)
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PubMed
n/an/an/a 61n/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
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)
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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
Riboflavin-binding protein


(Gallus gallus)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/an/a 2.10E+3n/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
Riboflavin-binding protein


(Gallus gallus)
BDBM50362896
PNG
(CHEMBL1946750)
Show SMILES Cc1cc2nc3c(nc(=O)n(CC(=O)NCCCN)c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r|
Show InChI InChI=1S/C22H30N6O7/c1-11-6-13-14(7-12(11)2)27(8-15(30)19(33)16(31)10-29)20-18(25-13)21(34)28(22(35)26-20)9-17(32)24-5-3-4-23/h6-7,15-16,19,29-31,33H,3-5,8-10,23H2,1-2H3,(H,24,32)/t15-,16+,19-/m0/s1
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Article
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n/an/an/a 3.55E+4n/an/an/an/an/a



Calvin College

Curated by ChEMBL


Assay Description
Binding affinity to 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