new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'andersson' and Initial = 'cd'   
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
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of mouse AChE


J Med Chem 56: 7615-24 (2013)


Article DOI: 10.1021/jm400990p
BindingDB Entry DOI: 10.7270/Q24M95Z3
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444034
PNG
(CHEMBL3092544)
Show SMILES CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079627
PNG
(CHEMBL3414768)
Show SMILES NC(=O)c1cccc(NC(=O)C2=C(CCC2)C(O)=O)c1 |t:11|
Show InChI InChI=1S/C14H14N2O4/c15-12(17)8-3-1-4-9(7-8)16-13(18)10-5-2-6-11(10)14(19)20/h1,3-4,7H,2,5-6H2,(H2,15,17)(H,16,18)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079627
PNG
(CHEMBL3414768)
Show SMILES NC(=O)c1cccc(NC(=O)C2=C(CCC2)C(O)=O)c1 |t:11|
Show InChI InChI=1S/C14H14N2O4/c15-12(17)8-3-1-4-9(7-8)16-13(18)10-5-2-6-11(10)14(19)20/h1,3-4,7H,2,5-6H2,(H2,15,17)(H,16,18)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079623
PNG
(CHEMBL3414772)
Show SMILES CNC(=O)\C=C\C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H13N3O3/c1-14-10(16)5-6-11(17)15-9-4-2-3-8(7-9)12(13)18/h2-7H,1H3,(H2,13,18)(H,14,16)(H,15,17)/b6-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 389n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079623
PNG
(CHEMBL3414772)
Show SMILES CNC(=O)\C=C\C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H13N3O3/c1-14-10(16)5-6-11(17)15-9-4-2-3-8(7-9)12(13)18/h2-7H,1H3,(H2,13,18)(H,14,16)(H,15,17)/b6-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444031
PNG
(CHEMBL3092518)
Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM103557
PNG
(ME0327)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444035
PNG
(CHEMBL3092541)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 589n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079622
PNG
(CHEMBL3414773)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCCC2)c1
Show InChI InChI=1S/C15H17N3O3/c16-15(21)11-4-3-5-12(10-11)17-13(19)6-7-14(20)18-8-1-2-9-18/h3-7,10H,1-2,8-9H2,(H2,16,21)(H,17,19)/b7-6-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079612
PNG
(CHEMBL3414756)
Show SMILES NC(=O)c1cccc(NC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C11H12N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-3,6H,4-5H2,(H2,12,17)(H,13,14)(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079617
PNG
(CHEMBL3414778)
Show SMILES NC(=O)c1cccc(NC(=O)C2CCC(=O)C2)c1
Show InChI InChI=1/C13H14N2O3/c14-12(17)8-2-1-3-10(6-8)15-13(18)9-4-5-11(16)7-9/h1-3,6,9H,4-5,7H2,(H2,14,17)(H,15,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444028
PNG
(CHEMBL3092522)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H20N4O3/c21-19(26)16(12-13-6-2-1-3-7-13)23-18(25)11-10-17-22-15-9-5-4-8-14(15)20(27)24-17/h1-9,16H,10-12H2,(H2,21,26)(H,23,25)(H,22,24,27)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079612
PNG
(CHEMBL3414756)
Show SMILES NC(=O)c1cccc(NC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C11H12N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-3,6H,4-5H2,(H2,12,17)(H,13,14)(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 724n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079617
PNG
(CHEMBL3414778)
Show SMILES NC(=O)c1cccc(NC(=O)C2CCC(=O)C2)c1
Show InChI InChI=1/C13H14N2O3/c14-12(17)8-2-1-3-10(6-8)15-13(18)9-4-5-11(16)7-9/h1-3,6,9H,4-5,7H2,(H2,14,17)(H,15,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 741n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 759n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444036
PNG
(CHEMBL3092540)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079621
PNG
(CHEMBL3414774)
Show SMILES CCN(CC)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C15H19N3O3/c1-3-18(4-2)14(20)9-8-13(19)17-12-7-5-6-11(10-12)15(16)21/h5-10H,3-4H2,1-2H3,(H2,16,21)(H,17,19)/b9-8-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079621
PNG
(CHEMBL3414774)
Show SMILES CCN(CC)C(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C15H19N3O3/c1-3-18(4-2)14(20)9-8-13(19)17-12-7-5-6-11(10-12)15(16)21/h5-10H,3-4H2,1-2H3,(H2,16,21)(H,17,19)/b9-8-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 851n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM103555
PNG
(ME0354)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r|
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM103558
PNG
(ME0328)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q2668BS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM103555
PNG
(ME0354)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r|
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q2668BS1
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM103558
PNG
(ME0328)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM103555
PNG
(ME0354)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r|
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM50444033
PNG
(CHEMBL3092553)
Show SMILES OC[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM103557
PNG
(ME0327)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q2668BS1
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM103557
PNG
(ME0327)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079618
PNG
(CHEMBL3414777)
Show SMILES CC(=O)CCCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H16N2O3/c1-9(16)4-2-7-12(17)15-11-6-3-5-10(8-11)13(14)18/h3,5-6,8H,2,4,7H2,1H3,(H2,14,18)(H,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079618
PNG
(CHEMBL3414777)
Show SMILES CC(=O)CCCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H16N2O3/c1-9(16)4-2-7-12(17)15-11-6-3-5-10(8-11)13(14)18/h3,5-6,8H,2,4,7H2,1H3,(H2,14,18)(H,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM31904
PNG
(CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...)
Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of wild type mouse AChE expressed in HEK293 cells using ATCh as substrate


J Med Chem 56: 7615-24 (2013)


Article DOI: 10.1021/jm400990p
BindingDB Entry DOI: 10.7270/Q24M95Z3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50397961
PNG
(CHEMBL2179988)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM103556
PNG
(ME0355)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r|
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM103556
PNG
(ME0355)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r|
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q2668BS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50397961
PNG
(CHEMBL2179988)
Show SMILES NC(=O)c1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444032
PNG
(CHEMBL3092517)
Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD8 catalytic domain (1611 to 1801 amino acids) expressed in Escherichia coli BL21(DE3) assess...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079627
PNG
(CHEMBL3414768)
Show SMILES NC(=O)c1cccc(NC(=O)C2=C(CCC2)C(O)=O)c1 |t:11|
Show InChI InChI=1S/C14H14N2O4/c15-12(17)8-3-1-4-9(7-8)16-13(18)10-5-2-6-11(10)14(19)20/h1,3-4,7H,2,5-6H2,(H2,15,17)(H,16,18)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079627
PNG
(CHEMBL3414768)
Show SMILES NC(=O)c1cccc(NC(=O)C2=C(CCC2)C(O)=O)c1 |t:11|
Show InChI InChI=1S/C14H14N2O4/c15-12(17)8-3-1-4-9(7-8)16-13(18)10-5-2-6-11(10)14(19)20/h1,3-4,7H,2,5-6H2,(H2,15,17)(H,16,18)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD8 catalytic domain (1611 to 1801 amino acids) expressed in Escherichia coli BL21(DE3) assess...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15)


(Homo sapiens (Human))
BDBM50079620
PNG
(CHEMBL3414775)
Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H12N2O4/c1-18-11(16)6-5-10(15)14-9-4-2-3-8(7-9)12(13)17/h2-7H,1H3,(H2,13,17)(H,14,15)/b6-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079612
PNG
(CHEMBL3414756)
Show SMILES NC(=O)c1cccc(NC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C11H12N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-3,6H,4-5H2,(H2,12,17)(H,13,14)(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079619
PNG
(CHEMBL3414776)
Show SMILES CC(=O)CCC(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H14N2O3/c1-8(15)5-6-11(16)14-10-4-2-3-9(7-10)12(13)17/h2-4,7H,5-6H2,1H3,(H2,13,17)(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10)


(Homo sapiens (Human))
BDBM50079612
PNG
(CHEMBL3414756)
Show SMILES NC(=O)c1cccc(NC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C11H12N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-3,6H,4-5H2,(H2,12,17)(H,13,14)(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...


Eur J Med Chem 95: 546-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.067
BindingDB Entry DOI: 10.7270/Q23J3FPJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444030
PNG
(CHEMBL3092520)
Show SMILES C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C14H17N3O3/c1-9(8-18)15-13(19)7-6-12-16-11-5-3-2-4-10(11)14(20)17-12/h2-5,9,18H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t9-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)


Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 193 total )  |  Next  |  Last  >>
Jump to: