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PubMed code 25803425

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50081942
PNG
(CHEMBL3422364)
Show SMILES Cc1occc1C(=O)N\N=C/c1cccc(Cl)c1O
Show InChI InChI=1S/C13H11ClN2O3/c1-8-10(5-6-19-8)13(18)16-15-7-9-3-2-4-11(14)12(9)17/h2-7,17H,1H3,(H,16,18)/b15-7-
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n/an/a 1.40E+4n/an/an/an/an/an/a



CAMB UMR7199 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 by HPLC analysis

J Med Chem 58: 3582-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00203
BindingDB Entry DOI: 10.7270/Q2SX6FZ8
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50081943
PNG
(CHEMBL3422366)
Show SMILES Cc1occc1C(=O)N\N=C/c1cccc(F)c1O
Show InChI InChI=1S/C13H11FN2O3/c1-8-10(5-6-19-8)13(18)16-15-7-9-3-2-4-11(14)12(9)17/h2-7,17H,1H3,(H,16,18)/b15-7-
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n/an/a 2.60E+4n/an/an/an/an/an/a



CAMB UMR7199 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 by HPLC analysis

J Med Chem 58: 3582-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00203
BindingDB Entry DOI: 10.7270/Q2SX6FZ8
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50081939
PNG
(CHEMBL3422360)
Show SMILES COc1cc(\C=N/NC(=O)c2ccoc2C)ccc1O
Show InChI InChI=1S/C14H14N2O4/c1-9-11(5-6-20-9)14(18)16-15-8-10-3-4-12(17)13(7-10)19-2/h3-8,17H,1-2H3,(H,16,18)/b15-8-
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n/an/a 1.03E+5n/an/an/an/an/an/a



CAMB UMR7199 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 by HPLC analysis

J Med Chem 58: 3582-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00203
BindingDB Entry DOI: 10.7270/Q2SX6FZ8
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50081938
PNG
(CHEMBL3422359)
Show SMILES Cc1occc1C(=O)N\N=C/c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H12N2O4/c1-8-10(4-5-19-8)13(18)15-14-7-9-2-3-11(16)12(17)6-9/h2-7,16-17H,1H3,(H,15,18)/b14-7-
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n/an/a 1.09E+5n/an/an/an/an/an/a



CAMB UMR7199 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 by HPLC analysis

J Med Chem 58: 3582-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00203
BindingDB Entry DOI: 10.7270/Q2SX6FZ8
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50081944
PNG
(CHEMBL3422380)
Show SMILES Cc1occc1C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C13H12N2O4/c1-8-9(6-7-19-8)12(17)14-15-13(18)10-4-2-3-5-11(10)16/h2-7,16H,1H3,(H,14,17)(H,15,18)
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n/an/a 1.20E+5n/an/an/an/an/an/a



CAMB UMR7199 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 by HPLC analysis

J Med Chem 58: 3582-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00203
BindingDB Entry DOI: 10.7270/Q2SX6FZ8
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50081940
PNG
(CHEMBL3422361)
Show SMILES Cc1occc1C(=O)N\N=C/c1ccccc1
Show InChI InChI=1S/C13H12N2O2/c1-10-12(7-8-17-10)13(16)15-14-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)/b14-9-
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n/an/a 2.96E+5n/an/an/an/an/an/a



CAMB UMR7199 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 by HPLC analysis

J Med Chem 58: 3582-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00203
BindingDB Entry DOI: 10.7270/Q2SX6FZ8
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50081941
PNG
(CHEMBL3422362)
Show SMILES Cc1occc1C(=O)N\N=C/c1ccccc1O
Show InChI InChI=1S/C13H12N2O3/c1-9-11(6-7-18-9)13(17)15-14-8-10-4-2-3-5-12(10)16/h2-8,16H,1H3,(H,15,17)/b14-8-
PDB
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PubMed
n/an/a 4.30E+5n/an/an/an/an/an/a



CAMB UMR7199 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of human CD38 by HPLC analysis

J Med Chem 58: 3582-92 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00203
BindingDB Entry DOI: 10.7270/Q2SX6FZ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%