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PubMed code 21641214

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347144
PNG
(LUTEOLINIDIN)
Show SMILES Oc1cc2oc(ccc2c(=[OH+])c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7,16-17,19H/p+1
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347135
PNG
(Cyanidin-3-glucoside (M8) | KUROMANIN)
Show SMILES OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
Show InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-24,26-29H,7H2/p+1
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n/an/a 6.30E+3n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 8.20E+3n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347139
PNG
(QUERCETAGETINIDIN)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(=[OH+])c2cc1O
Show InChI InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20/h1-5,16-19,21H/p+1
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n/an/a 1.42E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50326997
PNG
(CHEMBL590878 | Delphinidin)
Show SMILES Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5,16,18-21H/p+1
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n/an/a 1.46E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50326998
PNG
(CHEMBL591036 | Pelargonidin)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(=[OH+])c2cc1O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7,16-17,19H/p+1
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n/an/a 1.63E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347138
PNG
(MALVIDIN)
Show SMILES COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(=[OH+])c2cc1O
Show InChI InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7,18,20-21H,1-2H3/p+1
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n/an/a 1.70E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347140
PNG
(PEONIDIN)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(=[OH+])c2cc1O
Show InChI InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7,17-18,20H,1H3/p+1
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n/an/a 2.09E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50241503
PNG
(2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopy...)
Show SMILES Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6,16-17,19-20H/p+1
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n/an/a 2.18E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.48E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347141
PNG
(DIOSMETINIDIN)
Show SMILES COc1ccc(cc1O)-c1ccc2c(cc(O)cc2=[OH+])o1
Show InChI InChI=1S/C16H12O5/c1-20-15-4-2-9(6-13(15)19)14-5-3-11-12(18)7-10(17)8-16(11)21-14/h2-8,17,19H,1H3/p+1
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n/an/a 3.21E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50033767
PNG
(3,3',4',5',7-pentahydroxy flavone | 3,7,3',4',5'-P...)
Show SMILES Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
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n/an/a 3.79E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 3.79E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347142
PNG
(PETUNIDIN)
Show SMILES COc1cc(cc(O)c1O)-c1oc2cc(O)cc(=[OH+])c2cc1O
Show InChI InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6,17,19-21H,1H3/p+1
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n/an/a 3.92E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM23408
PNG
(2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
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n/an/a 4.86E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50347143
PNG
(FISETINIDIN)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(=[OH+])ccc2cc1O
Show InChI InChI=1S/C15H10O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-7,17-19H/p+1
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n/an/a 7.03E+4n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50049400
PNG
((+/-) taxifolin | (+/-)-Dihydroquercetin | (+/-)-t...)
Show SMILES OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H
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n/an/a>1.00E+5n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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KEGG

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antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



UMR 7200 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method


Bioorg Med Chem Lett 21: 3939-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.022
BindingDB Entry DOI: 10.7270/Q2SF2WJX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%