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Compile Data Set for Download or QSAR

Found 237 hits Enz. Inhib. hit(s) with Target = 'Lymphocyte differentiation antigen CD38'   
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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086336
PNG
(CHEMBL3426065)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/C21H24N4O2S/c1-12-7-14(18-10-23-11-28-18)8-16-17(9-19(26)25-20(12)16)24-15-5-3-13(4-6-15)21(27)22-2/h7-11,13,15H,3-6H2,1-2H3,(H,22,27)(H2,24,25,26)/t13-,15-
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n/an/a 1.40n/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))
BDBM50086337
PNG
(CHEMBL3426064)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1
Show InChI InChI=1/C20H22N4O2S/c1-21-20(26)12-2-5-14(6-3-12)23-17-9-19(25)24-16-7-4-13(8-15(16)17)18-10-22-11-27-18/h4,7-12,14H,2-3,5-6H2,1H3,(H,21,26)(H2,23,24,25)/t12-,14-
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n/an/a 3.40n/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))
BDBM50086436
PNG
(CHEMBL3426037)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/C20H23N3O2S/c1-12-7-13(18-10-21-11-26-18)8-16-17(9-19(24)23-20(12)16)22-14-3-5-15(25-2)6-4-14/h7-11,14-15H,3-6H2,1-2H3,(H2,22,23,24)/t14-,15-
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n/an/a 3.80n/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))
BDBM50086432
PNG
(CHEMBL3426033)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/C22H27N3O3S/c1-14-9-15(20-12-23-13-29-20)10-18-19(11-21(26)25-22(14)18)24-16-3-5-17(6-4-16)28-8-7-27-2/h9-13,16-17H,3-8H2,1-2H3,(H2,24,25,26)/t16-,17-
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n/an/a 3.90n/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))
BDBM50461132
PNG
(CHEMBL4229241)
Show SMILES NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CC1
Show InChI InChI=1/C24H22F4N8O/c25-16-6-2-5-15(24(26,27)28)13(16)9-31-21-12-4-1-3-11(20(30)37)17(12)32-22(33-21)36-10-14-18(23(36)7-8-23)34-35-19(14)29/h1-6,21,31H,7-10H2,(H2,30,37)(H,32,33)(H3,29,34,35)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086335
PNG
(CHEMBL3426066)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1
Show InChI InChI=1/C21H24N4O2S/c1-22-21(27)13-3-6-15(7-4-13)24-17-10-20(26)25(2)18-8-5-14(9-16(17)18)19-11-23-12-28-19/h5,8-13,15,24H,3-4,6-7H2,1-2H3,(H,22,27)/t13-,15-
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n/an/a 4.80n/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))
BDBM50086334
PNG
(CHEMBL3426067)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/C22H26N4O2S/c1-13-8-15(19-11-24-12-29-19)9-17-18(10-20(27)26(3)21(13)17)25-16-6-4-14(5-7-16)22(28)23-2/h8-12,14,16,25H,4-7H2,1-3H3,(H,23,28)/t14-,16-
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n/an/a 5.30n/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))
BDBM50086431
PNG
(CHEMBL3426032)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1
Show InChI InChI=1/C21H25N3O3S/c1-26-8-9-27-16-5-3-15(4-6-16)23-19-11-21(25)24-18-7-2-14(10-17(18)19)20-12-22-13-28-20/h2,7,10-13,15-16H,3-6,8-9H2,1H3,(H2,23,24,25)/t15-,16-
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n/an/a 6n/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))
BDBM50086433
PNG
(CHEMBL3426034)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1
Show InChI InChI=1/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3/t16-,17-
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Article
PubMed
n/an/a 7.30n/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))
BDBM50461156
PNG
(CHEMBL4225752)
Show SMILES NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CCC1
Show InChI InChI=1/C25H24F4N8O/c26-17-7-2-6-16(25(27,28)29)14(17)10-32-22-13-5-1-4-12(21(31)38)18(13)33-23(34-22)37-11-15-19(35-36-20(15)30)24(37)8-3-9-24/h1-2,4-7,22,32H,3,8-11H2,(H2,31,38)(H,33,34)(H3,30,35,36)
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n/an/a 7.80n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086434
PNG
(CHEMBL3426035)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/C23H29N3O3S/c1-15-10-16(21-13-24-14-30-21)11-19-20(12-22(27)26(2)23(15)19)25-17-4-6-18(7-5-17)29-9-8-28-3/h10-14,17-18,25H,4-9H2,1-3H3/t17-,18-
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n/an/a 10n/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))
BDBM50086437
PNG
(CHEMBL3426038)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1
Show InChI InChI=1/C20H23N3O2S/c1-23-18-8-3-13(19-11-21-12-26-19)9-16(18)17(10-20(23)24)22-14-4-6-15(25-2)7-5-14/h3,8-12,14-15,22H,4-7H2,1-2H3/t14-,15-
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n/an/a 13n/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))
BDBM50086439
PNG
(CHEMBL3426040)
Show SMILES Cn1c2ccc(cc2c(N[C@H]2CC[C@H](O)CC2)cc1=O)-c1cncs1
Show InChI InChI=1/C19H21N3O2S/c1-22-17-7-2-12(18-10-20-11-25-18)8-15(17)16(9-19(22)24)21-13-3-5-14(23)6-4-13/h2,7-11,13-14,21,23H,3-6H2,1H3/t13-,14-
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n/an/a 14n/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))
BDBM50086438
PNG
(CHEMBL3426039)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/C21H25N3O2S/c1-13-8-14(19-11-22-12-27-19)9-17-18(10-20(25)24(2)21(13)17)23-15-4-6-16(26-3)7-5-15/h8-12,15-16,23H,4-7H2,1-3H3/t15-,16-
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n/an/a 15n/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))
BDBM50461171
PNG
(CHEMBL4224903)
Show SMILES NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CCCC1
Show InChI InChI=1/C26H26F4N8O/c27-18-8-4-7-17(26(28,29)30)15(18)11-33-23-14-6-3-5-13(22(32)39)19(14)34-24(35-23)38-12-16-20(36-37-21(16)31)25(38)9-1-2-10-25/h3-8,23,33H,1-2,9-12H2,(H2,32,39)(H,34,35)(H3,31,36,37)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50461155
PNG
(CHEMBL4224854)
Show SMILES CC1(C)N(Cc2c(N)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C24H24F4N8O/c1-23(2)18-14(19(29)35-34-18)10-36(23)22-32-17-11(20(30)37)5-3-6-12(17)21(33-22)31-9-13-15(24(26,27)28)7-4-8-16(13)25/h3-8,21,31H,9-10H2,1-2H3,(H2,30,37)(H,32,33)(H3,29,34,35)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50461153
PNG
(CHEMBL4226017)
Show SMILES C[C@H]1N(Cc2c(C)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C24H23F4N7O/c1-11-16-10-35(12(2)19(16)34-33-11)23-31-20-13(21(29)36)5-3-6-14(20)22(32-23)30-9-15-17(24(26,27)28)7-4-8-18(15)25/h3-8,12,22,30H,9-10H2,1-2H3,(H2,29,36)(H,31,32)(H,33,34)/t12-,22?/s2
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086350
PNG
(CHEMBL3426058)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1nc(O)nc2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/C19H22N4O2S/c1-11-7-12(16-9-20-10-26-16)8-15-17(11)22-19(24)23-18(15)21-13-3-5-14(25-2)6-4-13/h7-10,13-14H,3-6H2,1-2H3,(H2,21,22,23,24)/t13-,14-
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PubMed
n/an/a 26n/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))
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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086347
PNG
(CHEMBL3426061)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(cc(cc12)-c1cncs1)C(F)(F)F
Show InChI InChI=1/C21H22F3N5OS/c1-11-27-18-15(7-13(17-9-26-10-31-17)8-16(18)21(22,23)24)19(28-11)29-14-5-3-12(4-6-14)20(30)25-2/h7-10,12,14H,3-6H2,1-2H3,(H,25,30)(H,27,28,29)/t12-,14-
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n/an/a 42n/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))
BDBM50461162
PNG
(CHEMBL4226243)
Show SMILES Cc1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C23H21F4N7O/c1-11-15-9-34(10-18(15)33-32-11)22-30-19-12(20(28)35)4-2-5-13(19)21(31-22)29-8-14-16(23(25,26)27)6-3-7-17(14)24/h2-7,21,29H,8-10H2,1H3,(H2,28,35)(H,30,31)(H,32,33)
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n/an/a 42n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50461170
PNG
(CHEMBL4226271)
Show SMILES C[C@H]1N(Cc2c(N)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C23H22F4N8O/c1-10-17-14(19(28)34-33-17)9-35(10)22-31-18-11(20(29)36)4-2-5-12(18)21(32-22)30-8-13-15(23(25,26)27)6-3-7-16(13)24/h2-7,10,21,30H,8-9H2,1H3,(H2,29,36)(H,31,32)(H3,28,33,34)/t10-,21?/s2
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n/an/a 45n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

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=1/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+/s2
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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))
BDBM50086343
PNG
(CHEMBL3426063)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(C)cc(cc12)-c1cncs1
Show InChI InChI=1/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))
BDBM50461157
PNG
(CHEMBL4227839)
Show SMILES C[C@H]1N(Cc2c[nH]nc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C23H21F4N7O/c1-11-18-12(8-30-33-18)10-34(11)22-31-19-13(20(28)35)4-2-5-14(19)21(32-22)29-9-15-16(23(25,26)27)6-3-7-17(15)24/h2-8,11,21,29H,9-10H2,1H3,(H2,28,35)(H,30,33)(H,31,32)/t11-,21?/s2
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n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086430
PNG
(CHEMBL3426031)
Show SMILES Cc1cc(cc2c(NC3CCOCC3)cc(=O)n(C)c12)-c1cncs1
Show InChI InChI=1S/C19H21N3O2S/c1-12-7-13(17-10-20-11-25-17)8-15-16(9-18(23)22(2)19(12)15)21-14-3-5-24-6-4-14/h7-11,14,21H,3-6H2,1-2H3
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n/an/a 52n/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))
BDBM50086348
PNG
(CHEMBL3426060)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1
Show InChI InChI=1/C19H22N4O2S/c1-23-16-8-3-12(17-10-20-11-26-17)9-15(16)18(22-19(23)24)21-13-4-6-14(25-2)7-5-13/h3,8-11,13-14H,4-7H2,1-2H3,(H,21,22,24)/t13-,14-
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n/an/a 53n/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))
BDBM50086435
PNG
(CHEMBL3426036)
Show SMILES CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)OCCOC)cc1=O)-c1cncs1
Show InChI InChI=1/C23H29N3O3S/c1-3-26-21-9-4-16(22-14-24-15-30-22)12-19(21)20(13-23(26)27)25-17-5-7-18(8-6-17)29-11-10-28-2/h4,9,12-15,17-18,25H,3,5-8,10-11H2,1-2H3/t17-,18-
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n/an/a 54n/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))
BDBM50086424
PNG
(CHEMBL3426029)
Show SMILES Cc1cc(cc2c(NC3CCOCC3)cc(=O)[nH]c12)-c1cncs1
Show InChI InChI=1S/C18H19N3O2S/c1-11-6-12(16-9-19-10-24-16)7-14-15(8-17(22)21-18(11)14)20-13-2-4-23-5-3-13/h6-10,13H,2-5H2,1H3,(H2,20,21,22)
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n/an/a 55n/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))
BDBM50086333
PNG
(CHEMBL3426027)
Show SMILES CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)cc1=O)-c1cncs1
Show InChI InChI=1/C22H26N4O2S/c1-3-26-19-9-6-15(20-12-24-13-29-20)10-17(19)18(11-21(26)27)25-16-7-4-14(5-8-16)22(28)23-2/h6,9-14,16,25H,3-5,7-8H2,1-2H3,(H,23,28)/t14-,16-
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n/an/a 58n/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))
BDBM50086332
PNG
(CHEMBL3426028)
Show SMILES O=c1cc(NC2CCOCC2)c2cc(ccc2[nH]1)-c1cncs1
Show InChI InChI=1S/C17H17N3O2S/c21-17-8-15(19-12-3-5-22-6-4-12)13-7-11(1-2-14(13)20-17)16-9-18-10-23-16/h1-2,7-10,12H,3-6H2,(H2,19,20,21)
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n/an/a 61n/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))
BDBM50086349
PNG
(CHEMBL3426059)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1
Show InChI InChI=1/C21H26N4O3S/c1-25-18-8-3-14(19-12-22-13-29-19)11-17(18)20(24-21(25)26)23-15-4-6-16(7-5-15)28-10-9-27-2/h3,8,11-13,15-16H,4-7,9-10H2,1-2H3,(H,23,24,26)/t15-,16-
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n/an/a 64n/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))
BDBM50461166
PNG
(CHEMBL4226629)
Show SMILES CC[C@H]1N(Cc2cn[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C24H23F4N7O/c1-2-18-19-12(9-31-34-19)11-35(18)23-32-20-13(21(29)36)5-3-6-14(20)22(33-23)30-10-15-16(24(26,27)28)7-4-8-17(15)25/h3-9,18,22,30H,2,10-11H2,1H3,(H2,29,36)(H,31,34)(H,32,33)/t18-,22?/s2
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n/an/a 71n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50461158
PNG
(CHEMBL4227109)
Show SMILES NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)cc(NCc3cn[nH]c3)nc12
Show InChI InChI=1S/C22H18F4N6O/c23-17-6-2-5-16(22(24,25)26)15(17)11-28-18-7-19(29-8-12-9-30-31-10-12)32-20-13(18)3-1-4-14(20)21(27)33/h1-7,9-10H,8,11H2,(H2,27,33)(H,30,31)(H2,28,29,32)
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50111135
PNG
(CHEMBL3604758)
Show SMILES Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cc(F)cc(C(N)=O)c2n1
Show InChI InChI=1S/C18H13Cl3FN3O/c1-8-4-15(24-7-12-13(19)2-3-14(20)16(12)21)10-5-9(22)6-11(18(23)26)17(10)25-8/h2-6H,7H2,1H3,(H2,23,26)(H,24,25)
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n/an/a 76n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086319
PNG
(CHEMBL3426191)
Show SMILES NC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1/C18H19N5OS/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/h3,6-11,13H,1-2,4-5H2,(H2,19,24)(H,21,22,23)/t11-,13-
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n/an/a 78n/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))
BDBM50461151
PNG
(CHEMBL4227578)
Show SMILES Cn1ncc2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1S/C23H21F4N7O/c1-33-18-11-34(10-12(18)8-30-33)22-31-19-13(20(28)35)4-2-5-14(19)21(32-22)29-9-15-16(23(25,26)27)6-3-7-17(15)24/h2-8,21,29H,9-11H2,1H3,(H2,28,35)(H,31,32)
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n/an/a 82n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50461165
PNG
(CHEMBL4227062)
Show SMILES CCc1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C24H23F4N7O/c1-2-18-15-10-35(11-19(15)34-33-18)23-31-20-12(21(29)36)5-3-6-13(20)22(32-23)30-9-14-16(24(26,27)28)7-4-8-17(14)25/h3-8,22,30H,2,9-11H2,1H3,(H2,29,36)(H,31,32)(H,33,34)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086425
PNG
(CHEMBL3426030)
Show SMILES Cn1c2ccc(cc2c(NC2CCOCC2)cc1=O)-c1cncs1
Show InChI InChI=1S/C18H19N3O2S/c1-21-16-3-2-12(17-10-19-11-24-17)8-14(16)15(9-18(21)22)20-13-4-6-23-7-5-13/h2-3,8-11,13,20H,4-7H2,1H3
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n/an/a 89n/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))
BDBM50461142
PNG
(CHEMBL4227304)
Show SMILES NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(nc12)N1Cc2cn[nH]c2C1
Show InChI InChI=1S/C22H17F4N7O/c23-16-6-2-5-15(22(24,25)26)14(16)8-28-20-13-4-1-3-12(19(27)34)18(13)30-21(31-20)33-9-11-7-29-32-17(11)10-33/h1-7H,8-10H2,(H2,27,34)(H,29,32)(H,28,30,31)
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n/an/a 92n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

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=1/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))
BDBM50461148
PNG
(CHEMBL4225684)
Show SMILES NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2[nH]nc(N)c2C1
Show InChI InChI=1/C22H20F4N8O/c23-15-6-2-5-14(22(24,25)26)12(15)7-29-20-11-4-1-3-10(19(28)35)17(11)30-21(31-20)34-8-13-16(9-34)32-33-18(13)27/h1-6,20,29H,7-9H2,(H2,28,35)(H,30,31)(H3,27,32,33)
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50461169
PNG
(CHEMBL4226909)
Show SMILES C[C@H](O)c1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C24H23F4N7O2/c1-11(36)19-15-9-35(10-18(15)33-34-19)23-31-20-12(21(29)37)4-2-5-13(20)22(32-23)30-8-14-16(24(26,27)28)6-3-7-17(14)25/h2-7,11,22,30,36H,8-10H2,1H3,(H2,29,37)(H,31,32)(H,33,34)/t11-,22?/s2
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

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))
BDBM50111158
PNG
(CHEMBL3604739)
Show SMILES Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C18H14Cl2FN3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-14(21)6-5-13(19)16(12)20/h2-7H,8H2,1H3,(H2,22,25)(H,23,24)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
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))
BDBM50461149
PNG
(CHEMBL4226529)
Show SMILES CC(=O)c1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1
Show InChI InChI=1/C24H21F4N7O2/c1-11(36)19-15-9-35(10-18(15)33-34-19)23-31-20-12(21(29)37)4-2-5-13(20)22(32-23)30-8-14-16(24(26,27)28)6-3-7-17(14)25/h2-7,22,30H,8-10H2,1H3,(H2,29,37)(H,31,32)(H,33,34)
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n/an/a 140n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...


Bioorg Med Chem 26: 2107-2150 (2018)

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=1/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-/s2
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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))
BDBM50086321
PNG
(CHEMBL3426189)
Show SMILES CC1CCCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1/C18H20N4S/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/h5-6,8-12,14H,2-4,7H2,1H3,(H,20,21,22)
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n/an/a 142n/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))
BDBM50086326
PNG
(CHEMBL3426184)
Show SMILES NC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C17H18N6OS/c18-17(24)23-5-3-12(4-6-23)22-16-13-7-11(15-8-19-10-25-15)1-2-14(13)20-9-21-16/h1-2,7-10,12H,3-6H2,(H2,18,24)(H,20,21,22)
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n/an/a 149n/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
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