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17 similar compounds to monomer 50086319

Compile data set for download or QSAR
Wt: 354.4
BDBM50086315
Wt: 354.4
BDBM50086316
Wt: 381.4
BDBM50086317
Wt: 353.4
BDBM50086318
Wt: 326.4
BDBM50086320
Wt: 324.4
BDBM50086322
Wt: 395.5
BDBM50086343
Wt: 393.5
BDBM50086394
Wt: 393.5
BDBM50086395
Wt: 311.4
BDBM50086397
Wt: 310.4
BDBM50086401
Wt: 324.4
BDBM50086323
Wt: 324.4
BDBM50086324
Wt: 268.3
BDBM50086329
Wt: 296.3
BDBM50086331
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50086315,50086316,50086317,50086318,50086320,50086322,50086343,50086394,50086395,50086397,50086401,50086323,50086324,50086329,50086331   
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)
BDBM50086397
PNG
(CHEMBL3426182)
Show SMILES C1CC(CCN1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H17N5S/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/h1-2,7-10,12,17H,3-6H2,(H,19,20,21)
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n/an/a 275n/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)
BDBM50086343
PNG
(CHEMBL3426063)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1S/C21H25N5OS/c1-12-8-15(18-10-23-11-28-18)9-17-19(12)24-13(2)25-20(17)26-16-6-4-14(5-7-16)21(27)22-3/h8-11,14,16H,4-7H2,1-3H3,(H,22,27)(H,24,25,26)/t14-,16-
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n/an/a 7n/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)
BDBM50086315
PNG
(CHEMBL3426043)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22)/t11-,13-
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n/an/a 40n/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)
BDBM50086316
PNG
(CHEMBL3426042)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22)/t11-,13+
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n/an/a 459n/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)
BDBM50086317
PNG
(CHEMBL3426193)
Show SMILES CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C20H23N5OS/c1-2-22-20(26)13-3-6-15(7-4-13)25-19-16-9-14(18-10-21-12-27-18)5-8-17(16)23-11-24-19/h5,8-13,15H,2-4,6-7H2,1H3,(H,22,26)(H,23,24,25)/t13-,15-
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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)
BDBM50086318
PNG
(CHEMBL3426192)
Show SMILES NC(=O)[C@@H]1CCC[C@H](C1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H19N5OS/c19-17(24)12-2-1-3-13(6-12)23-18-14-7-11(16-8-20-10-25-16)4-5-15(14)21-9-22-18/h4-5,7-10,12-13H,1-3,6H2,(H2,19,24)(H,21,22,23)/t12-,13-/m1/s1
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n/an/a 37n/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)
BDBM50086320
PNG
(CHEMBL3426190)
Show SMILES OC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H18N4OS/c22-13-4-2-12(3-5-13)21-17-14-7-11(16-8-18-10-23-16)1-6-15(14)19-9-20-17/h1,6-10,12-13,22H,2-5H2,(H,19,20,21)
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n/an/a 25n/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)
BDBM50086322
PNG
(CHEMBL3426188)
Show SMILES C[C@@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H20N4S/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/h6-12,15H,2-5H2,1H3,(H,20,21,22)/t12-,15+/m1/s1
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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)
BDBM50086323
PNG
(CHEMBL3426187)
Show SMILES C[C@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H20N4S/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/h6-12,15H,2-5H2,1H3,(H,20,21,22)/t12-,15-/m0/s1
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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)
BDBM50086324
PNG
(CHEMBL3426186)
Show SMILES CC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H20N4S/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/h4,7-12,14H,2-3,5-6H2,1H3,(H,20,21,22)
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n/an/a 7n/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)
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)
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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086343
PNG
(CHEMBL3426063)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1S/C21H25N5OS/c1-12-8-15(18-10-23-11-28-18)9-17-19(12)24-13(2)25-20(17)26-16-6-4-14(5-7-16)21(27)22-3/h8-11,14,16H,4-7H2,1-3H3,(H,22,27)(H,24,25,26)/t14-,16-
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n/an/a 50n/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))
BDBM50086394
PNG
(CHEMBL3426046)
Show SMILES O=C1CCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C21H23N5OS/c27-20-2-1-9-26(20)16-6-4-15(5-7-16)25-21-17-10-14(19-11-22-13-28-19)3-8-18(17)23-12-24-21/h3,8,10-13,15-16H,1-2,4-7,9H2,(H,23,24,25)/t15-,16-
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n/an/a 1.96E+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))
BDBM50086395
PNG
(CHEMBL3426045)
Show SMILES O=C1CCCN1[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C21H23N5OS/c27-20-2-1-9-26(20)16-6-4-15(5-7-16)25-21-17-10-14(19-11-22-13-28-19)3-8-18(17)23-12-24-21/h3,8,10-13,15-16H,1-2,4-7,9H2,(H,23,24,25)/t15-,16+
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n/an/a 8.54E+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))
BDBM50086315
PNG
(CHEMBL3426043)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22)/t11-,13-
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n/an/a 498n/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))
BDBM50086316
PNG
(CHEMBL3426042)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H18N4O2S/c23-18(24)11-1-4-13(5-2-11)22-17-14-7-12(16-8-19-10-25-16)3-6-15(14)20-9-21-17/h3,6-11,13H,1-2,4-5H2,(H,23,24)(H,20,21,22)/t11-,13+
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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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086317
PNG
(CHEMBL3426193)
Show SMILES CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C20H23N5OS/c1-2-22-20(26)13-3-6-15(7-4-13)25-19-16-9-14(18-10-21-12-27-18)5-8-17(16)23-11-24-19/h5,8-13,15H,2-4,6-7H2,1H3,(H,22,26)(H,23,24,25)/t13-,15-
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n/an/a 92n/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))
BDBM50086318
PNG
(CHEMBL3426192)
Show SMILES NC(=O)[C@@H]1CCC[C@H](C1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H19N5OS/c19-17(24)12-2-1-3-13(6-12)23-18-14-7-11(16-8-20-10-25-16)4-5-15(14)21-9-22-18/h4-5,7-10,12-13H,1-3,6H2,(H2,19,24)(H,21,22,23)/t12-,13-/m1/s1
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n/an/a 971n/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))
BDBM50086320
PNG
(CHEMBL3426190)
Show SMILES OC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H18N4OS/c22-13-4-2-12(3-5-13)21-17-14-7-11(16-8-18-10-23-16)1-6-15(14)19-9-20-17/h1,6-10,12-13,22H,2-5H2,(H,19,20,21)
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n/an/a 406n/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))
BDBM50086322
PNG
(CHEMBL3426188)
Show SMILES C[C@@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H20N4S/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/h6-12,15H,2-5H2,1H3,(H,20,21,22)/t12-,15+/m1/s1
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n/an/a 49n/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))
BDBM50086323
PNG
(CHEMBL3426187)
Show SMILES C[C@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H20N4S/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/h6-12,15H,2-5H2,1H3,(H,20,21,22)/t12-,15-/m0/s1
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n/an/a 140n/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))
BDBM50086324
PNG
(CHEMBL3426186)
Show SMILES CC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C18H20N4S/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/h4,7-12,14H,2-3,5-6H2,1H3,(H,20,21,22)
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n/an/a 117n/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))
BDBM50086397
PNG
(CHEMBL3426182)
Show SMILES C1CC(CCN1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C16H17N5S/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/h1-2,7-10,12,17H,3-6H2,(H,19,20,21)
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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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
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 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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086395
PNG
(CHEMBL3426045)
Show SMILES O=C1CCCN1[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C21H23N5OS/c27-20-2-1-9-26(20)16-6-4-15(5-7-16)25-21-17-10-14(19-11-22-13-28-19)3-8-18(17)23-12-24-21/h3,8,10-13,15-16H,1-2,4-7,9H2,(H,23,24,25)/t15-,16+
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n/an/a 1.11E+3n/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)
BDBM50086394
PNG
(CHEMBL3426046)
Show SMILES O=C1CCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C21H23N5OS/c27-20-2-1-9-26(20)16-6-4-15(5-7-16)25-21-17-10-14(19-11-22-13-28-19)3-8-18(17)23-12-24-21/h3,8,10-13,15-16H,1-2,4-7,9H2,(H,23,24,25)/t15-,16-
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n/an/a 77n/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