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14 similar compounds to monomer 50086416

Compile data set for download or QSAR
Wt: 305.3
BDBM50086327
Wt: 305.3
BDBM50086328
Wt: 347.3
BDBM50086406
Wt: 318.3
BDBM50086411
Wt: 318.3
BDBM50086413
Wt: 322.3
BDBM50086414
Wt: 322.3
BDBM50086415
Wt: 338.8
BDBM50086418
Wt: 356.8
BDBM50086420
Wt: 304.3
BDBM50086421
Wt: 370.8
BDBM50086352
Wt: 372.3
BDBM50086410
Wt: 318.3
BDBM50086412
Wt: 338.8
BDBM50086419

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50086327,50086328,50086406,50086411,50086413,50086414,50086415,50086418,50086420,50086421,50086352,50086410,50086412,50086419   
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
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)
BDBM50086352
PNG
(CHEMBL3426056)
Show SMILES Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4S/c1-10-4-11(16-7-21-9-25-16)5-13-17(10)22-8-23-18(13)24-12-2-3-15(20)14(19)6-12/h2-9H,1H3,(H,22,23,24)
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n/an/a 10n/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)
BDBM50086419
PNG
(CHEMBL3426071)
Show SMILES Clc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C17H11ClN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22)
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n/an/a 26n/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)
BDBM50086418
PNG
(CHEMBL3426072)
Show SMILES Clc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C17H11ClN4S/c18-12-2-1-3-13(7-12)22-17-14-6-11(16-8-19-10-23-16)4-5-15(14)20-9-21-17/h1-10H,(H,20,21,22)
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n/an/a 19n/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)
BDBM50086415
PNG
(CHEMBL3426075)
Show SMILES Fc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C17H11FN4S/c18-12-2-1-3-13(7-12)22-17-14-6-11(16-8-19-10-23-16)4-5-15(14)20-9-21-17/h1-10H,(H,20,21,22)
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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)
BDBM50086414
PNG
(CHEMBL3426076)
Show SMILES Fc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H11FN4S/c18-13-3-1-2-4-15(13)22-17-12-7-11(16-8-19-10-23-16)5-6-14(12)20-9-21-17/h1-10H,(H,20,21,22)
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n/an/a 45n/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)
BDBM50086413
PNG
(CHEMBL3426077)
Show SMILES Cc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C18H14N4S/c1-12-2-5-14(6-3-12)22-18-15-8-13(17-9-19-11-23-17)4-7-16(15)20-10-21-18/h2-11H,1H3,(H,20,21,22)
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n/an/a 22n/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)
BDBM50086412
PNG
(CHEMBL3426078)
Show SMILES Cc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C18H14N4S/c1-12-3-2-4-14(7-12)22-18-15-8-13(17-9-19-11-23-17)5-6-16(15)20-10-21-18/h2-11H,1H3,(H,20,21,22)
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n/an/a 17n/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)
BDBM50086411
PNG
(CHEMBL3426079)
Show SMILES Cc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H14N4S/c1-12-4-2-3-5-15(12)22-18-14-8-13(17-9-19-11-23-17)6-7-16(14)20-10-21-18/h2-11H,1H3,(H,20,21,22)
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n/an/a 65n/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)
BDBM50086410
PNG
(CHEMBL3426080)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C18H11F3N4S/c19-18(20,21)12-2-1-3-13(7-12)25-17-14-6-11(16-8-22-10-26-16)4-5-15(14)23-9-24-17/h1-10H,(H,23,24,25)
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n/an/a 42n/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)
BDBM50086406
PNG
(CHEMBL3426084)
Show SMILES NC(=O)c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C18H13N5OS/c19-17(24)11-1-4-13(5-2-11)23-18-14-7-12(16-8-20-10-25-16)3-6-15(14)21-9-22-18/h1-10H,(H2,19,24)(H,21,22,23)
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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)
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)
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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086352
PNG
(CHEMBL3426056)
Show SMILES Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4S/c1-10-4-11(16-7-21-9-25-16)5-13-17(10)22-8-23-18(13)24-12-2-3-15(20)14(19)6-12/h2-9H,1H3,(H,22,23,24)
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n/an/a 206n/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 (Human))
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 (Human))
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 (Human))
BDBM50086406
PNG
(CHEMBL3426084)
Show SMILES NC(=O)c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C18H13N5OS/c19-17(24)11-1-4-13(5-2-11)23-18-14-7-12(16-8-20-10-25-16)3-6-15(14)21-9-22-18/h1-10H,(H2,19,24)(H,21,22,23)
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n/an/a 560n/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 (Human))
BDBM50086410
PNG
(CHEMBL3426080)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C18H11F3N4S/c19-18(20,21)12-2-1-3-13(7-12)25-17-14-6-11(16-8-22-10-26-16)4-5-15(14)23-9-24-17/h1-10H,(H,23,24,25)
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n/an/a 2.15E+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 (Human))
BDBM50086411
PNG
(CHEMBL3426079)
Show SMILES Cc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H14N4S/c1-12-4-2-3-5-15(12)22-18-14-8-13(17-9-19-11-23-17)6-7-16(14)20-10-21-18/h2-11H,1H3,(H,20,21,22)
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n/an/a 1.28E+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 (Human))
BDBM50086412
PNG
(CHEMBL3426078)
Show SMILES Cc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C18H14N4S/c1-12-3-2-4-14(7-12)22-18-15-8-13(17-9-19-11-23-17)5-6-16(15)20-10-21-18/h2-11H,1H3,(H,20,21,22)
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n/an/a 1.16E+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 (Human))
BDBM50086413
PNG
(CHEMBL3426077)
Show SMILES Cc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C18H14N4S/c1-12-2-5-14(6-3-12)22-18-15-8-13(17-9-19-11-23-17)4-7-16(15)20-10-21-18/h2-11H,1H3,(H,20,21,22)
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n/an/a 1.23E+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 (Human))
BDBM50086414
PNG
(CHEMBL3426076)
Show SMILES Fc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H11FN4S/c18-13-3-1-2-4-15(13)22-17-12-7-11(16-8-19-10-23-16)5-6-14(12)20-9-21-17/h1-10H,(H,20,21,22)
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n/an/a 4.68E+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 (Human))
BDBM50086415
PNG
(CHEMBL3426075)
Show SMILES Fc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C17H11FN4S/c18-12-2-1-3-13(7-12)22-17-14-6-11(16-8-19-10-23-16)4-5-15(14)20-9-21-17/h1-10H,(H,20,21,22)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 970n/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 (Human))
BDBM50086418
PNG
(CHEMBL3426072)
Show SMILES Clc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1
Show InChI InChI=1S/C17H11ClN4S/c18-12-2-1-3-13(7-12)22-17-14-6-11(16-8-19-10-23-16)4-5-15(14)20-9-21-17/h1-10H,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/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 (Human))
BDBM50086419
PNG
(CHEMBL3426071)
Show SMILES Clc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C17H11ClN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.32E+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 (Human))
BDBM50086420
PNG
(CHEMBL3426070)
Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1Cl
Show InChI InChI=1S/C17H10ClFN4S/c18-13-6-11(2-3-14(13)19)23-17-12-5-10(16-7-20-9-24-16)1-4-15(12)21-8-22-17/h1-9H,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+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 (Human))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086420
PNG
(CHEMBL3426070)
Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1Cl
Show InChI InChI=1S/C17H10ClFN4S/c18-13-6-11(2-3-14(13)19)23-17-12-5-10(16-7-20-9-24-16)1-4-15(12)21-8-22-17/h1-9H,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/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