Compile Data Set for Download or QSAR

Found 579 hits Enz. Inhib. hit(s) with Target = 'ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1' AND taxid = 9606   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50086433 (CHEMBL3426034) Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of wild type fully glycosylated human recombinant CD38-catalyzed NAD hydrolysis				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 (Homo sapiens (Human))	BDBM50086438 (CHEMBL3426039) Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.69,7.38,;6.68,6.15,;5.35,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.02,6.16,;1.34,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.39,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.02,1.54,;-5.41,.92,;-6.43,2.07,;-5.65,3.4,;-4.15,3.07,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of wild type fully glycosylated human recombinant CD38-catalyzed NAD hydrolysis				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 (Homo sapiens (Human))	BDBM50086434 (CHEMBL3426035) Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of wild type fully glycosylated human recombinant CD38-catalyzed NAD hydrolysis				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 (Homo sapiens (Human))	BDBM50086425 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of wild type fully glycosylated human recombinant CD38-catalyzed NAD hydrolysis				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 (Homo sapiens (Human))	BDBM50086336 (CHEMBL3426065) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50086337 (CHEMBL3426064) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50086436 (CHEMBL3426037) Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50086432 (CHEMBL3426033) Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50600805 (CHEMBL5178786) Show SMILES COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)[N+]([O-])=O)-n1ccnc1 |r,wU:8.11,wD:5.4,(1.21,-9.21,;1.21,-7.68,;-.13,-6.91,;-.13,-5.37,;-1.48,-4.61,;-1.48,-3.07,;-.15,-2.3,;-.15,-.76,;-1.49,.01,;-2.82,-.76,;-2.82,-2.3,;-1.49,1.55,;-.16,2.32,;1.17,1.55,;-.16,3.85,;1.18,4.64,;1.18,6.18,;-.16,6.95,;-1.49,6.18,;-2.97,6.66,;-3.88,5.41,;-2.97,4.16,;-1.49,4.64,;-3.44,8.13,;-4.95,8.45,;-2.35,9.21,;2.51,6.95,;3.91,6.33,;4.95,7.47,;4.18,8.81,;2.67,8.49,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00688 BindingDB Entry DOI: 10.7270/Q2GB2848
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50461132 (CHEMBL4229241) Show SMILES NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CC1 |c:23| Show InChI InChI=1S/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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2018.03.021 BindingDB Entry DOI: 10.7270/Q2MW2KS8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50580354 (CHEMBL5076763) Show SMILES COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(n1)-n1ccnc1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(24.41,-42.35,;23.08,-41.58,;21.74,-42.35,;20.41,-41.57,;19.07,-42.34,;17.74,-41.57,;17.74,-40.03,;16.41,-39.25,;15.08,-40.03,;15.08,-41.57,;16.41,-42.33,;13.74,-39.26,;12.41,-40.03,;12.42,-41.58,;11.07,-39.27,;9.75,-40.05,;8.42,-39.29,;8.41,-37.74,;9.74,-36.96,;11.08,-37.73,;9.74,-35.42,;8.5,-34.52,;8.97,-33.05,;10.51,-33.05,;10.98,-34.51,;7.08,-40.07,;6.93,-41.6,;5.43,-41.94,;4.64,-40.61,;3.11,-40.46,;5.67,-39.45,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of His-tagged human CD38 using etheno-NAD as substrate preincubated for 30 mins followed by substrate addition and further incubated for 1...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00647 BindingDB Entry DOI: 10.7270/Q2765K6G
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50086335 (CHEMBL3426066) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50580351 (CHEMBL5083478) Show SMILES COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(24.25,-27.1,;22.92,-26.32,;21.58,-27.09,;20.25,-26.32,;18.91,-27.09,;17.59,-26.31,;17.59,-24.77,;16.26,-24,;14.93,-24.77,;14.93,-26.31,;16.26,-27.08,;13.59,-24.01,;12.26,-24.78,;12.26,-26.32,;10.92,-24.02,;9.6,-24.79,;8.27,-24.04,;8.26,-22.49,;9.59,-21.71,;10.92,-22.48,;9.58,-20.17,;8.34,-19.27,;8.81,-17.8,;10.35,-17.8,;10.83,-19.26,;6.93,-24.82,;6.78,-26.35,;5.27,-26.69,;4.49,-25.35,;2.96,-25.2,;5.51,-24.2,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of His-tagged human CD38 using etheno-NAD as substrate preincubated for 30 mins followed by substrate addition and further incubated for 1...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00647 BindingDB Entry DOI: 10.7270/Q2765K6G
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50086334 (CHEMBL3426067) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50086431 (CHEMBL3426032) Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50580352 (CHEMBL5091229) Show SMILES COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-n1ccnc1 |r,wU:8.11,wD:5.4,(50.94,-27.34,;49.61,-26.56,;48.27,-27.33,;46.94,-26.56,;45.61,-27.33,;44.27,-26.55,;44.27,-25.01,;42.94,-24.24,;41.61,-25.01,;41.61,-26.55,;42.94,-27.32,;40.27,-24.25,;38.94,-25.02,;38.94,-26.56,;37.6,-24.26,;36.29,-25.03,;34.95,-24.28,;34.94,-22.73,;36.27,-21.95,;37.6,-22.72,;36.27,-20.41,;35.01,-19.51,;35.48,-18.04,;37.03,-18.04,;37.5,-19.5,;33.62,-25.06,;33.47,-26.59,;31.96,-26.93,;31.18,-25.6,;32.2,-24.44,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of His-tagged human CD38 using etheno-NAD as substrate preincubated for 30 mins followed by substrate addition and further incubated for 1...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00647 BindingDB Entry DOI: 10.7270/Q2765K6G
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50580353 (CHEMBL5076855) Show SMILES COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cncs1 |r,wU:8.11,wD:5.4,(79.63,-28.03,;78.29,-27.25,;76.96,-28.02,;75.62,-27.25,;74.29,-28.02,;72.96,-27.24,;72.96,-25.7,;71.63,-24.93,;70.3,-25.7,;70.3,-27.24,;71.63,-28.01,;68.96,-24.94,;67.63,-25.71,;67.63,-27.25,;66.29,-24.95,;64.98,-25.72,;63.64,-24.96,;63.63,-23.42,;64.97,-22.64,;66.29,-23.41,;64.96,-21.1,;63.71,-20.2,;64.18,-18.73,;65.72,-18.73,;66.19,-20.19,;62.31,-25.75,;62.16,-27.28,;60.65,-27.62,;59.87,-26.29,;60.9,-25.13,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of His-tagged human CD38 using etheno-NAD as substrate preincubated for 30 mins followed by substrate addition and further incubated for 1...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00647 BindingDB Entry DOI: 10.7270/Q2765K6G
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50086433 (CHEMBL3426034) Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)| Show InChI InChI=1S/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-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50461156 (CHEMBL4225752) Show SMILES NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CCC1 |c:23| Show InChI InChI=1S/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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2018.03.021 BindingDB Entry DOI: 10.7270/Q2MW2KS8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587881 (US11535621, Example 131) Show SMILES COCCOc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587882 (US11535621, Example 132) Show SMILES COCn1cc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587884 (US11535621, Example 134) Show SMILES Clc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)nc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587886 (US11535621, Example 136) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:5.8,wD:2.1,(7.22,3.91,;5.89,4.68,;4.55,3.91,;3.22,4.68,;1.89,3.91,;1.89,2.37,;3.22,1.6,;4.55,2.37,;.55,1.6,;.55,.06,;1.89,-.71,;-.78,-.71,;-2.12,.06,;-3.45,-.71,;-3.45,-2.25,;-2.12,-3.02,;-1.8,-4.52,;-.26,-4.68,;.36,-3.28,;-.78,-2.25,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587887 (US11535621, Example 137) Show SMILES Clc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587888 (US11535621, Example 138) Show SMILES O=C(Nc1ccncc1)c1nc(nc2cc[nH]c12)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587890 (US11535621, Example 140) Show SMILES Clc1cc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)ccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587891 (US11535621, Example 141) Show SMILES Clc1cncc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587892 (US11535621, Example 142) Show SMILES Clc1ccnc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587894 (US11535621, Example 144) Show SMILES Clc1cccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587895 (US11535621, Example 145) Show SMILES O=C(Nc1ccc(OCCN2CCOCC2)nc1)c1nc(nc2cc[nH]c12)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587898 (US11535621, Example 148) Show SMILES O=C(N[C@H]1CC[C@@H](CC1)C#N)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(1.89,-1.09,;.55,-.32,;.55,1.22,;1.89,1.99,;1.89,3.53,;3.22,4.3,;4.6,3.56,;4.55,1.99,;3.22,1.22,;5.93,4.33,;7.27,5.1,;-.78,-1.09,;-2.12,-.32,;-3.45,-1.09,;-3.45,-2.63,;-2.12,-3.4,;-1.8,-4.91,;-.26,-5.07,;.36,-3.66,;-.78,-2.63,;-4.78,-.32,;-6.19,-.95,;-7.22,.2,;-6.45,1.53,;-4.94,1.21,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587899 (US11535621, Example 149) Show SMILES FC1(F)CCC(CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587900 (US11535621, Example 150) Show SMILES O=C(Nc1ccncn1)c1nc(nc2cc[nH]c12)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587901 (US11535621, Example 151) Show SMILES CN(C)CCOc1ccc(NC(=O)c2nc(nc3ccsc23)-n2ccnc2)cn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587903 (US11535621, Example 153) Show SMILES O=C(Nc1cncnc1)c1nc(nc2cc[nH]c12)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587904 (US11535621, Example 154) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587906 (US11535621, Example 156) Show SMILES Clc1cc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cnc1OCCN1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587909 (US11535621, Example 159) Show SMILES FC1(F)CCC(CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587912 (US11535621, Example 162) Show SMILES O=C(Nc1ccon1)c1nc(nc2cc[nH]c12)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587921 (US11535621, Example 171) Show SMILES FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.27,4.81,;5.93,4.04,;6.7,2.71,;5.16,5.38,;4.6,3.27,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587923 (US11535621, Example 173) Show SMILES Cc1cc2nc(nc(C(=O)NC3CCC(F)(F)CC3)c2[nH]1)-n1ccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587924 (US11535621, Example 174) Show SMILES OC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:5.8,wD:2.1,(7.22,3.91,;5.89,4.68,;4.55,3.91,;3.22,4.68,;1.89,3.91,;1.89,2.37,;3.22,1.6,;4.55,2.37,;.55,1.6,;.55,.06,;1.89,-.71,;-.78,-.71,;-2.12,.06,;-3.45,-.71,;-3.45,-2.25,;-2.12,-3.02,;-1.8,-4.52,;-.26,-4.68,;.36,-3.28,;-.78,-2.25,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587925 (US11535621, Example 175) Show SMILES C[C@@]1(O)CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:5.8,1.1,wD:1.0,(5.89,4.97,;5.12,3.63,;6.66,3.63,;3.78,4.4,;2.45,3.63,;2.45,2.09,;3.78,1.32,;5.12,2.09,;1.12,1.32,;1.12,-.22,;2.45,-.99,;-.22,-.99,;-1.55,-.22,;-2.89,-.99,;-2.89,-2.53,;-1.55,-3.3,;-1.23,-4.8,;.3,-4.97,;.93,-3.56,;-.22,-2.53,;-4.22,-.22,;-5.63,-.84,;-6.66,.3,;-5.89,1.63,;-4.38,1.31,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587927 (US11535621, Example 177) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.7,wD:1.0,(6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;2.55,2.37,;3.89,1.6,;5.22,2.37,;1.22,1.6,;1.22,.06,;2.55,-.71,;-.11,-.71,;-1.45,.06,;-2.78,-.71,;-2.78,-2.25,;-1.45,-3.02,;-1.13,-4.52,;.4,-4.68,;1.03,-3.28,;-.11,-2.25,;-4.12,.06,;-5.52,-.56,;-6.55,.58,;-5.78,1.92,;-4.28,1.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587932 (US11535621, Example 182) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(5.12,5.35,;5.89,4.02,;6.66,5.35,;7.22,3.25,;4.55,3.25,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587933 (US11535621, Example 183) Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:5.8,wD:2.1,(6.6,5.48,;6.6,3.94,;5.27,3.17,;3.89,3.91,;2.55,3.14,;2.55,1.6,;3.89,.83,;5.22,1.6,;1.22,.83,;1.22,-.71,;2.55,-1.48,;-.11,-1.48,;-1.45,-.71,;-2.78,-1.48,;-2.78,-3.02,;-1.45,-3.79,;-1.13,-5.29,;.4,-5.45,;1.03,-4.05,;-.11,-3.02,;-4.12,-.71,;-5.52,-1.33,;-6.55,-.19,;-5.78,1.15,;-4.28,.83,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587934 (US11535621, Example 184) Show SMILES Cc1cc2nc(nc(C(=O)N[C@H]3CC[C@@H](CC3)C(C)(C)O)c2[nH]1)-n1ccnc1 |r,wU:11.10,wD:14.17,(.51,-6.02,;-.26,-4.68,;-1.8,-4.52,;-2.12,-3.02,;-3.45,-2.25,;-3.45,-.71,;-2.12,.06,;-.78,-.71,;.55,.06,;1.89,-.71,;.55,1.6,;1.89,2.37,;1.89,3.91,;3.22,4.68,;4.55,3.91,;4.55,2.37,;3.22,1.6,;5.89,4.68,;5.12,6.02,;6.66,6.02,;7.22,3.91,;-.78,-2.25,;.36,-3.28,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587935 (US11535621, Example 185) Show SMILES O=C(N[C@H]1CC[C@H](CC#N)CC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.6,(1.22,-.71,;-.11,.06,;-.11,1.6,;1.22,2.37,;1.22,3.91,;2.55,4.68,;3.89,3.91,;5.22,4.68,;5.22,6.22,;5.22,7.76,;3.89,2.37,;2.55,1.6,;-1.45,-.71,;-2.78,.06,;-4.12,-.71,;-4.12,-2.25,;-2.78,-3.02,;-2.46,-4.52,;-.93,-4.68,;-.3,-3.28,;-1.45,-2.25,;-5.45,.06,;-6.86,-.56,;-7.89,.58,;-7.12,1.92,;-5.61,1.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587940 (US11535621, Example 190) Show SMILES CN(C)CC#Cc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM587942 (N-((1S,4r)-4-((S)-1-hydroxyethyl)cyclohexyl)-5-(1H...) Show SMILES C[C@H](O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,1.1,(5.89,13.2,;5.89,11.66,;7.22,10.89,;4.55,10.89,;4.55,9.35,;3.22,8.58,;1.89,9.35,;1.89,10.89,;3.22,11.66,;.55,8.58,;.55,7.04,;1.89,6.27,;-.78,6.27,;-2.12,7.04,;-3.45,6.27,;-3.45,4.73,;-2.12,3.96,;-1.8,2.46,;-.26,2.29,;.36,3.7,;-.78,4.73,;-4.78,7.04,;-6.19,6.42,;-7.22,7.56,;-6.45,8.89,;-4.94,8.57,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose resp...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89H88
					More data for this Ligand-Target Pair

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