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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 286.3
BDBM50086389
Wt: 272.3
BDBM50086390
Wt: 284.3
BDBM50086391
Wt: 270.3
BDBM50086392
Wt: 256.3
BDBM50086393
Wt: 298.3
BDBM50086400
Wt: 310.4
BDBM50086401
Wt: 305.3
BDBM50086402
Wt: 305.3
BDBM50086327
Wt: 305.3
BDBM50086328
Wt: 268.3
BDBM50086329
Wt: 296.3
BDBM50086331
Wt: 304.3
BDBM50086421
Wt: 257.3
BDBM50086440
Wt: 282.3
BDBM50086330
Displayed 1 to 15 (of 86 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 30 hits in this display   
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


(Mus musculus)
BDBM50086331
PNG
(CHEMBL3426093)
Show SMILES C1CCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H16N4S/c1-2-4-12(3-1)20-16-13-7-11(15-8-17-10-21-15)5-6-14(13)18-9-19-16/h5-10,12H,1-4H2,(H,18,19,20)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086401
PNG
(CHEMBL3426094)
Show SMILES C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H18N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h6-11,13H,1-5H2,(H,19,20,21)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086328
PNG
(CHEMBL3426090)
Show SMILES N(c1ccncc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H11N5S/c1-2-14-13(7-11(1)15-8-18-10-22-15)16(20-9-19-14)21-12-3-5-17-6-4-12/h1-10H,(H,17,19,20,21)
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086330
PNG
(CHEMBL3426092)
Show SMILES C1CC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C15H14N4S/c1-2-11(3-1)19-15-12-6-10(14-7-16-9-20-14)4-5-13(12)17-8-18-15/h4-9,11H,1-3H2,(H,17,18,19)
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086421
PNG
(CHEMBL3426069)
Show SMILES N(c1ccccc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H12N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h1-11H,(H,19,20,21)
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n/an/a 46n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086327
PNG
(CHEMBL3426089)
Show SMILES N(c1cccnc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H11N5S/c1-2-12(7-17-5-1)21-16-13-6-11(15-8-18-10-22-15)3-4-14(13)19-9-20-16/h1-10H,(H,19,20,21)
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086391
PNG
(CHEMBL3426049)
Show SMILES CC(C)(C)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C15H16N4S/c1-15(2,3)19-14-11-6-10(13-7-16-9-20-13)4-5-12(11)17-8-18-14/h4-9H,1-3H3,(H,17,18,19)
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n/an/a 66n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086392
PNG
(CHEMBL3426048)
Show SMILES CC(C)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C14H14N4S/c1-9(2)18-14-11-5-10(13-6-15-8-19-13)3-4-12(11)16-7-17-14/h3-9H,1-2H3,(H,16,17,18)
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n/an/a 75n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086400
PNG
(CHEMBL3426095)
Show SMILES C1CC(CO1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C15H14N4OS/c1-2-13-12(5-10(1)14-6-16-9-21-14)15(18-8-17-13)19-11-3-4-20-7-11/h1-2,5-6,8-9,11H,3-4,7H2,(H,17,18,19)
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n/an/a 86n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086402
PNG
(CHEMBL3426088)
Show SMILES N(c1ccccn1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H11N5S/c1-2-6-18-15(3-1)21-16-12-7-11(14-8-17-10-22-14)4-5-13(12)19-9-20-16/h1-10H,(H,18,19,20,21)
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n/an/a 97n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086401
PNG
(CHEMBL3426094)
Show SMILES C1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H18N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h6-11,13H,1-5H2,(H,19,20,21)
PDB
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KEGG

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n/an/a 132n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086329
PNG
(CHEMBL3426091)
Show SMILES C1CC1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C14H12N4S/c1-4-12-11(5-9(1)13-6-15-8-19-13)14(17-7-16-12)18-10-2-3-10/h1,4-8,10H,2-3H2,(H,16,17,18)
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n/an/a 144n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086393
PNG
(CHEMBL3426047)
Show SMILES CCNc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C13H12N4S/c1-2-15-13-10-5-9(12-6-14-8-18-12)3-4-11(10)16-7-17-13/h3-8H,2H2,1H3,(H,15,16,17)
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n/an/a 145n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086440
PNG
(CHEMBL3426041)
Show SMILES Cn1c2ccc(cc2c(N)cc1=O)-c1cncs1
Show InChI InChI=1S/C13H11N3OS/c1-16-11-3-2-8(12-6-15-7-18-12)4-9(11)10(14)5-13(16)17/h2-7H,14H2,1H3
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n/an/a 163n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086390
PNG
(CHEMBL3426050)
Show SMILES OCCNc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C13H12N4OS/c18-4-3-15-13-10-5-9(12-6-14-8-19-12)1-2-11(10)16-7-17-13/h1-2,5-8,18H,3-4H2,(H,15,16,17)
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n/an/a 189n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086331
PNG
(CHEMBL3426093)
Show SMILES C1CCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H16N4S/c1-2-4-12(3-1)20-16-13-7-11(15-8-17-10-21-15)5-6-14(13)18-9-19-16/h5-10,12H,1-4H2,(H,18,19,20)
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n/an/a 281n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086389
PNG
(CHEMBL3426051)
Show SMILES COCCNc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C14H14N4OS/c1-19-5-4-16-14-11-6-10(13-7-15-9-20-13)2-3-12(11)17-8-18-14/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
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n/an/a 298n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086421
PNG
(CHEMBL3426069)
Show SMILES N(c1ccccc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H12N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h1-11H,(H,19,20,21)
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n/an/a 840n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086328
PNG
(CHEMBL3426090)
Show SMILES N(c1ccncc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H11N5S/c1-2-14-13(7-11(1)15-8-18-10-22-15)16(20-9-19-14)21-12-3-5-17-6-4-12/h1-10H,(H,17,19,20,21)
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n/an/a 950n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086400
PNG
(CHEMBL3426095)
Show SMILES C1CC(CO1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C15H14N4OS/c1-2-13-12(5-10(1)14-6-16-9-21-14)15(18-8-17-13)19-11-3-4-20-7-11/h1-2,5-6,8-9,11H,3-4,7H2,(H,17,18,19)
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n/an/a 1.68E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086330
PNG
(CHEMBL3426092)
Show SMILES C1CC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C15H14N4S/c1-2-11(3-1)19-15-12-6-10(14-7-16-9-20-14)4-5-13(12)17-8-18-15/h4-9,11H,1-3H2,(H,17,18,19)
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n/an/a 1.93E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086391
PNG
(CHEMBL3426049)
Show SMILES CC(C)(C)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C15H16N4S/c1-15(2,3)19-14-11-6-10(13-7-16-9-20-13)4-5-12(11)17-8-18-14/h4-9H,1-3H3,(H,17,18,19)
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n/an/a 2.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086392
PNG
(CHEMBL3426048)
Show SMILES CC(C)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C14H14N4S/c1-9(2)18-14-11-5-10(13-6-15-8-19-13)3-4-12(11)16-7-17-14/h3-9H,1-2H3,(H,16,17,18)
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n/an/a 3.35E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086327
PNG
(CHEMBL3426089)
Show SMILES N(c1cccnc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H11N5S/c1-2-12(7-17-5-1)21-16-13-6-11(15-8-18-10-22-15)3-4-14(13)19-9-20-16/h1-10H,(H,19,20,21)
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n/an/a 3.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086329
PNG
(CHEMBL3426091)
Show SMILES C1CC1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C14H12N4S/c1-4-12-11(5-9(1)13-6-15-8-19-13)14(17-7-16-12)18-10-2-3-10/h1,4-8,10H,2-3H2,(H,16,17,18)
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n/an/a 7.83E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086440
PNG
(CHEMBL3426041)
Show SMILES Cn1c2ccc(cc2c(N)cc1=O)-c1cncs1
Show InChI InChI=1S/C13H11N3OS/c1-16-11-3-2-8(12-6-15-7-18-12)4-9(11)10(14)5-13(16)17/h2-7H,14H2,1H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086393
PNG
(CHEMBL3426047)
Show SMILES CCNc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C13H12N4S/c1-2-15-13-10-5-9(12-6-14-8-18-12)3-4-11(10)16-7-17-13/h3-8H,2H2,1H3,(H,15,16,17)
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n/an/a 1.14E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086402
PNG
(CHEMBL3426088)
Show SMILES N(c1ccccn1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H11N5S/c1-2-6-18-15(3-1)21-16-12-7-11(14-8-17-10-22-14)4-5-13(12)19-9-20-16/h1-10H,(H,18,19,20,21)
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n/an/a 1.23E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086390
PNG
(CHEMBL3426050)
Show SMILES OCCNc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C13H12N4OS/c18-4-3-15-13-10-5-9(12-6-14-8-19-12)1-2-11(10)16-7-17-13/h1-2,5-8,18H,3-4H2,(H,15,16,17)
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n/an/a 2.34E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086389
PNG
(CHEMBL3426051)
Show SMILES COCCNc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C14H14N4OS/c1-19-5-4-16-14-11-6-10(13-7-15-9-20-13)2-3-12(11)17-8-18-14/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
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n/an/a>3.02E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)


Article DOI: 10.1021/jm502009h
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair