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

Found 51 hits with Last Name = 'schüler' and Initial = 'h'   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27533
PNG
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1
Show InChI InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Inhibition of human PARP1


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of TNKS2


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of TNKS1


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27497
PNG
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Inhibition of human PARP1


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
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))
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))
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))
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))
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))
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))
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 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
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
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)
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)
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
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
Poly [ADP-ribose] polymerase 1


(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

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.12E+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 (ARTD3 or PARP3)


(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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.20E+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))
BDBM50444027
PNG
(CHEMBL3092523)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.20E+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))
BDBM50444027
PNG
(CHEMBL3092523)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.50E+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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444029
PNG
(CHEMBL3092521)
Show SMILES CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.10E+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
Poly [ADP-ribose] polymerase 1


(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

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.70E+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 (ARTD3 or PARP3)


(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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+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
Poly [ADP-ribose] polymerase 1


(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

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6.30E+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))
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

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6.46E+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
Poly [ADP-ribose] polymerase 1


(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

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 9.10E+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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM50444029
PNG
(CHEMBL3092521)
Show SMILES CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.60E+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))
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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+4n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.32E+4n/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))
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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.44E+4n/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))
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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.52E+4n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a>1.00E+5n/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))
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

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM50226518
PNG
(3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a>2.00E+3n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM50277614
PNG
(2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...)
Show SMILES Cc1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM27497
PNG
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 700n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens (Human))
BDBM27533
PNG
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1
Show InChI InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 70n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50277614
PNG
(2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...)
Show SMILES Cc1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 150n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP1 by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27497
PNG
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP1 by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27533
PNG
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1
Show InChI InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 19n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP1 by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50277614
PNG
(2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...)
Show SMILES Cc1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP1


J Med Chem 52: 3108-11 (2009)


Article DOI: 10.1021/jm900052j
BindingDB Entry DOI: 10.7270/Q2B56JNV
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 10n/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity to TNKS2


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity to TNKS1


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 14n/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity to full-length human recombinant TNSK2 expressed in Escherichia coli by isothermal titration calorimetry


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 8n/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant TNSK1 expressed in Escherichia coli by isothermal titration calorimetry


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 620n/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity to PARP1 by isothermal titration calorimetry


J Med Chem 53: 5352-5 (2010)


Article DOI: 10.1021/jm100249w
BindingDB Entry DOI: 10.7270/Q2M32WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14)


(Homo sapiens (Human))
BDBM50397960
PNG
(CHEMBL2179989)
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

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant ARTD8 expressed in Escherichia coli BL21 (DE3) R3 pRARE cells by isothermal titration calorimetry


J Med Chem 55: 7706-18 (2012)


Article DOI: 10.1021/jm300746d
BindingDB Entry DOI: 10.7270/Q2GT5P9F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 51 total )  |  Next  |  Last  >>
Jump to: