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6 similar compounds to monomer 50086352

Compile data set for download or QSAR
Wt: 386.8
BDBM50086351
Wt: 338.8
BDBM50086418
Wt: 356.8
BDBM50086420
Wt: 424.8
BDBM50086354
Wt: 322.3
BDBM50086416
Wt: 338.8
BDBM50086419

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50086351,50086418,50086420,50086354,50086416,50086419   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)
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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
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)
BDBM50086416
PNG
(CHEMBL3426074)
Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C17H11FN4S/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 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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086351
PNG
(CHEMBL3426057)
Show SMILES Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4OS/c1-9-4-10(15-7-21-8-26-15)5-12-16(9)23-18(25)24-17(12)22-11-2-3-14(20)13(19)6-11/h2-8H,1H3,(H2,22,23,24,25)
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n/an/a 28n/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)
BDBM50086351
PNG
(CHEMBL3426057)
Show SMILES Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4OS/c1-9-4-10(15-7-21-8-26-15)5-12-16(9)23-18(25)24-17(12)22-11-2-3-14(20)13(19)6-11/h2-8H,1H3,(H2,22,23,24,25)
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n/an/a 4n/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))
BDBM50086416
PNG
(CHEMBL3426074)
Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show InChI InChI=1S/C17H11FN4S/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 2.33E+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))
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 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)
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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)
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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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086354
PNG
(CHEMBL3426054)
Show SMILES Fc1ccc(Nc2ncnc3c(cc(cc23)-c2cncs2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C18H9ClF4N4S/c19-13-5-10(1-2-14(13)20)27-17-11-3-9(15-6-24-8-28-15)4-12(18(21,22)23)16(11)25-7-26-17/h1-8H,(H,25,26,27)
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n/an/a 139n/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))
BDBM50086354
PNG
(CHEMBL3426054)
Show SMILES Fc1ccc(Nc2ncnc3c(cc(cc23)-c2cncs2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C18H9ClF4N4S/c19-13-5-10(1-2-14(13)20)27-17-11-3-9(15-6-24-8-28-15)4-12(18(21,22)23)16(11)25-7-26-17/h1-8H,(H,25,26,27)
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n/an/a 1.59E+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