Found 240 hits with Last Name = 'almassy' and Initial = 'r' 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 |
|---|
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214466
(CHEMBL398149 | N-(3-(8-cyano-4-(cyclopropylamino)p...)Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C#N)c3n2)c1 Show InChI InChI=1S/C17H16N8O/c1-10(26)20-13-3-2-4-14(7-13)21-16-23-15-11(8-18)9-19-25(15)17(24-16)22-12-5-6-12/h2-4,7,9,12H,5-6H2,1H3,(H,20,26)(H2,21,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214473
(CHEMBL230354 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZO...)Show SMILES CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1 Show InChI InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374656
(CHEMBL401544)Show SMILES O=C(N1CCNCC1)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C27H29N9O2/c37-23-10-2-1-5-19-17-29-36-24(19)33-26(31-22-9-4-8-21(16-22)30-23)34-27(36)32-20-7-3-6-18(15-20)25(38)35-13-11-28-12-14-35/h3-4,6-9,15-17,28H,1-2,5,10-14H2,(H,30,37)(H2,31,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093383
(2-(4-Trifluoromethyl-phenyl)-1H-benzoimidazole-4-c...)Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)9-6-4-8(5-7-9)14-20-11-3-1-2-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374653
(CHEMBL271020)Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C28H31N9O2/c1-35-12-14-36(15-13-35)26(39)19-7-4-8-21(16-19)32-28-34-27-31-23-10-5-9-22(17-23)30-24(38)11-3-2-6-20-18-29-37(28)25(20)33-27/h4-5,7-10,16-18H,2-3,6,11-15H2,1H3,(H,30,38)(H2,31,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374654
(CHEMBL271645)Show SMILES CN(C1CCN(C)CC1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C30H35N9O2/c1-37-15-13-25(14-16-37)38(2)28(41)20-8-5-9-22(17-20)34-30-36-29-33-24-11-6-10-23(18-24)32-26(40)12-4-3-7-21-19-31-39(30)27(21)35-29/h5-6,8-11,17-19,25H,3-4,7,12-16H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374662
(CHEMBL256401)Show SMILES CN(C)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:3.2| Show InChI InChI=1S/C29H33N9O2/c1-36(2)24-13-14-37(18-24)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136934
(3',4'-Dichloro-biphenyl-3-sulfonic acid (3-chloro-...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21Cl3N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)26)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(24)20(25)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093359
(2-(4-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...)Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-2-1-3-12-13(11)18-15(17-12)10-6-4-9(8-19)5-7-10/h1-7,19H,8H2,(H2,16,20)(H,17,18) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214454
(CHEMBL230462 | N-(3-(8-cyano-4-(cyclobutylamino)py...)Show SMILES CC(=O)Nc1cccc(Nc2nc(NC3CCC3)n3ncc(C#N)c3n2)c1 Show InChI InChI=1S/C18H18N8O/c1-11(27)21-14-6-3-7-15(8-14)22-17-24-16-12(9-19)10-20-26(16)18(25-17)23-13-4-2-5-13/h3,6-8,10,13H,2,4-5H2,1H3,(H,21,27)(H2,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374658
(CHEMBL401614)Show SMILES CN(C1CCN(C)C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:2.1| Show InChI InChI=1S/C29H33N9O2/c1-36-14-13-24(18-36)37(2)27(40)19-8-5-9-21(15-19)33-29-35-28-32-23-11-6-10-22(16-23)31-25(39)12-4-3-7-20-17-30-38(29)26(20)34-28/h5-6,8-11,15-17,24H,3-4,7,12-14,18H2,1-2H3,(H,31,39)(H2,32,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50059331
((R)-2-({5-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-...)Show SMILES Cc1cc(sc1CCC1CNc2nc(N)[nH]c(=O)c2S1)C(=O)N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C19H23N5O6S2/c1-8-6-12(16(27)22-10(18(29)30)3-5-13(25)26)32-11(8)4-2-9-7-21-15-14(31-9)17(28)24-19(20)23-15/h6,9-10H,2-5,7H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t9?,10-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor . |
J Med Chem 40: 2502-24 (1997)
Article DOI: 10.1021/jm9607459
BindingDB Entry DOI: 10.7270/Q29C6WJD |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093384
(2-(3-Hydroxy-4-methoxy-phenyl)-1H-benzoimidazole-4...)Show InChI InChI=1S/C15H13N3O3/c1-21-12-6-5-8(7-11(12)19)15-17-10-4-2-3-9(14(16)20)13(10)18-15/h2-7,19H,1H3,(H2,16,20)(H,17,18) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374651
(CHEMBL257219)Show SMILES CCN(CC)C1CCN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 |w:5.4| Show InChI InChI=1S/C31H37N9O2/c1-3-38(4-2)26-15-16-39(20-26)29(42)21-10-7-11-23(17-21)35-31-37-30-34-25-13-8-12-24(18-25)33-27(41)14-6-5-9-22-19-32-40(31)28(22)36-30/h7-8,10-13,17-19,26H,3-6,9,14-16,20H2,1-2H3,(H,33,41)(H2,34,35,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374655
(CHEMBL401945)Show SMILES CCN(CC)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C30H37N9O2/c1-4-38(5-2)17-16-37(3)28(41)21-11-8-12-23(18-21)34-30-36-29-33-25-14-9-13-24(19-25)32-26(40)15-7-6-10-22-20-31-39(30)27(22)35-29/h8-9,11-14,18-20H,4-7,10,15-17H2,1-3H3,(H,32,40)(H2,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093372
(2-(4-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...)Show InChI InChI=1S/C14H10ClN3O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50059333
((R)-2-({5-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-...)Show SMILES Nc1nc2NCC(CCc3ccc(s3)C(=O)N[C@H](CCC(O)=O)C(O)=O)Sc2c(=O)[nH]1 Show InChI InChI=1S/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9?,10-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor . |
J Med Chem 40: 2502-24 (1997)
Article DOI: 10.1021/jm9607459
BindingDB Entry DOI: 10.7270/Q29C6WJD |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374657
(CHEMBL257736)Show SMILES CCN(CC)C1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C30H35N9O2/c1-3-37(4-2)25-18-38(19-25)28(41)20-10-7-11-22(15-20)34-30-36-29-33-24-13-8-12-23(16-24)32-26(40)14-6-5-9-21-17-31-39(30)27(21)35-29/h7-8,10-13,15-17,25H,3-6,9,14,18-19H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136916
(3'-Chloro-4'-fluoro-biphenyl-3-sulfonic acid (3-ch...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(Cl)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21Cl2FN4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)25)30-33(31,32)17-5-3-4-14(8-17)15-6-7-20(26)19(24)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM50059332
(2-{3-[2-(2-Amino-4-oxo-4,6,7,8-tetrahydro-3H-pyrim...)Show SMILES Nc1nc2NCC(CCc3cccc(c3)C(=O)NC(CCC(O)=O)C(O)=O)Sc2c(=O)[nH]1 Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-15(18(29)25-20)32-12(9-22-16)5-4-10-2-1-3-11(8-10)17(28)23-13(19(30)31)6-7-14(26)27/h1-3,8,12-13H,4-7,9H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29) | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor . |
J Med Chem 40: 2502-24 (1997)
Article DOI: 10.1021/jm9607459
BindingDB Entry DOI: 10.7270/Q29C6WJD |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374660
(CHEMBL256189)Show SMILES OC1CN(C1)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C26H26N8O3/c35-21-14-33(15-21)24(37)16-6-3-7-18(11-16)30-26-32-25-29-20-9-4-8-19(12-20)28-22(36)10-2-1-5-17-13-27-34(26)23(17)31-25/h3-4,6-9,11-13,21,35H,1-2,5,10,14-15H2,(H,28,36)(H2,29,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50154756
(6-(4-Methylaminomethyl-phenyl)-3,4-dihydro-2H-[1,4...)Show InChI InChI=1S/C19H19N3O/c1-20-12-13-5-7-14(8-6-13)17-11-15-3-2-4-16-18(15)22(17)10-9-21-19(16)23/h2-8,11,20H,9-10,12H2,1H3,(H,21,23) | PDB
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PC sid
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PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D--La Jolla Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme |
J Med Chem 47: 5467-81 (2004)
Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4 |
More data for this
Ligand-Target Pair | |
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
(Escherichia coli (strain K12)) | BDBM50136914
(4'-Chloro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...)Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(C)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H24Cl2N4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)26)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(25)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Quorex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase) |
J Med Chem 46: 5663-73 (2003)
Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374659
(CHEMBL402246)Show SMILES CN(C)CCN(C)C(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C28H33N9O2/c1-35(2)14-15-36(3)26(39)19-9-6-10-21(16-19)32-28-34-27-31-23-12-7-11-22(17-23)30-24(38)13-5-4-8-20-18-29-37(28)25(20)33-27/h6-7,9-12,16-18H,4-5,8,13-15H2,1-3H3,(H,30,38)(H2,31,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093379
(2-(4-Cyano-phenyl)-1H-benzoimidazole-4-carboxylic ...)Show InChI InChI=1S/C15H10N4O/c16-8-9-4-6-10(7-5-9)15-18-12-3-1-2-11(14(17)20)13(12)19-15/h1-7H,(H2,17,20)(H,18,19) | PDB
MMDB
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antibodypedia
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| CHEMBL
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PC sid
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| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50122777
(1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...)Show InChI InChI=1S/C16H13N3O/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20) | PDB
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PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1 |
J Med Chem 46: 210-3 (2003)
Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50122775
(1-(4-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...)Show InChI InChI=1S/C17H15N3O2/c21-10-11-4-6-12(7-5-11)16-19-14-3-1-2-13-15(14)20(16)9-8-18-17(13)22/h1-7,21H,8-10H2,(H,18,22) | PDB
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1 |
J Med Chem 46: 210-3 (2003)
Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50122781
(1-Naphthalen-1-yl-8,9-dihydro-7H-2,7,9a-triaza-ben...)Show InChI InChI=1S/C20H15N3O/c24-20-16-9-4-10-17-18(16)23(12-11-21-20)19(22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-10H,11-12H2,(H,21,24) | PDB
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B.MOAD
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1 |
J Med Chem 46: 210-3 (2003)
Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214465
(2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,...)Show SMILES Clc1ccc(CNc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1 Show InChI InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27685
(2-{4-[(dimethylamino)methyl]phenyl}-3,10-diazatric...)Show SMILES CN(C)Cc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C20H21N3O/c1-23(2)12-13-6-8-14(9-7-13)19-15-10-11-21-20(24)16-4-3-5-17(22-19)18(15)16/h3-9,22H,10-12H2,1-2H3,(H,21,24) | PDB
MMDB
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B.MOAD
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120704
(2-Naphthalen-1-yl-1,3,4,5-tetrahydro-azepino[5,4,3...)Show InChI InChI=1S/C21H16N2O/c24-21-17-9-4-10-18-19(17)16(11-12-22-21)20(23-18)15-8-3-6-13-5-1-2-7-14(13)15/h1-10,23H,11-12H2,(H,22,24) | PDB
MMDB
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B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120702
(2-(4-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-az...)Show SMILES FC(F)(F)c1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C18H13F3N2O/c19-18(20,21)11-6-4-10(5-7-11)16-12-8-9-22-17(24)13-2-1-3-14(23-16)15(12)13/h1-7,23H,8-9H2,(H,22,24) | PDB
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B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
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| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120707
(2-Thiophen-2-yl-1,3,4,5-tetrahydro-azepino[5,4,3-c...)Show InChI InChI=1S/C15H12N2OS/c18-15-10-3-1-4-11-13(10)9(6-7-16-15)14(17-11)12-5-2-8-19-12/h1-5,8,17H,6-7H2,(H,16,18) | PDB
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50214444
(2-(p-toluidino)-4-(phenylamino)pyrazolo[1,5-a][1,3...)Show InChI InChI=1S/C19H15N7/c1-13-7-9-16(10-8-13)22-18-24-17-14(11-20)12-21-26(17)19(25-18)23-15-5-3-2-4-6-15/h2-10,12H,1H3,(H2,22,23,24,25) | PDB
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UniChem
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 alpha |
Bioorg Med Chem Lett 17: 4191-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.041
BindingDB Entry DOI: 10.7270/Q23778D9 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Zea mays (Maize)) | BDBM50374661
(CHEMBL402306)Show SMILES CN(C)CCNC(=O)c1cccc(Nc2nc3Nc4cccc(NC(=O)CCCCc5cnn2c5n3)c4)c1 Show InChI InChI=1S/C27H31N9O2/c1-35(2)14-13-28-25(38)18-8-5-9-20(15-18)32-27-34-26-31-22-11-6-10-21(16-22)30-23(37)12-4-3-7-19-17-29-36(27)24(19)33-26/h5-6,8-11,15-17H,3-4,7,12-14H2,1-2H3,(H,28,38)(H,30,37)(H2,31,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Polaris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of corn CK2 |
Bioorg Med Chem Lett 18: 619-23 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.074
BindingDB Entry DOI: 10.7270/Q2KD1ZRV |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093362
(2-(3,4-Dimethoxy-phenyl)-1H-benzoimidazole-4-carbo...)Show InChI InChI=1S/C16H15N3O3/c1-21-12-7-6-9(8-13(12)22-2)16-18-11-5-3-4-10(15(17)20)14(11)19-16/h3-8H,1-2H3,(H2,17,20)(H,18,19) | PDB
MMDB
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B.MOAD
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50122779
(1-(4-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)Show InChI InChI=1S/C16H12ClN3O/c17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21/h1-7H,8-9H2,(H,18,21) | PDB
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PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1 |
J Med Chem 46: 210-3 (2003)
Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093361
(2-(4-Dimethylamino-phenyl)-1H-benzoimidazole-4-car...)Show InChI InChI=1S/C16H16N4O/c1-20(2)11-8-6-10(7-9-11)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-9H,1-2H3,(H2,17,21)(H,18,19) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50122776
(1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24) | PDB
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CHEMBL
MCE
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| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1 |
J Med Chem 46: 210-3 (2003)
Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093365
(2-Benzo[1,3]dioxol-5-yl-1H-benzoimidazole-4-carbox...)Show InChI InChI=1S/C15H11N3O3/c16-14(19)9-2-1-3-10-13(9)18-15(17-10)8-4-5-11-12(6-8)21-7-20-11/h1-6H,7H2,(H2,16,19)(H,17,18) | PDB
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| CHEMBL
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UniChem
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| PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120726
(2-(3-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-az...)Show SMILES FC(F)(F)c1cccc(c1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C18H13F3N2O/c19-18(20,21)11-4-1-3-10(9-11)16-12-7-8-22-17(24)13-5-2-6-14(23-16)15(12)13/h1-6,9,23H,7-8H2,(H,22,24) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120724
(2-Phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol...)Show InChI InChI=1S/C17H14N2O/c20-17-13-7-4-8-14-15(13)12(9-10-18-17)16(19-14)11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H,18,20) | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120728
(2-(4-Methoxy-phenyl)-1,3,4,5-tetrahydro-azepino[5,...)Show InChI InChI=1S/C18H16N2O2/c1-22-12-7-5-11(6-8-12)17-13-9-10-19-18(21)14-3-2-4-15(20-17)16(13)14/h2-8,20H,9-10H2,1H3,(H,19,21) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1). |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50120706
(2-(4-Pyrrol-1-ylmethyl-phenyl)-1,3,4,5-tetrahydro-...)Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1ccc(Cn2cccc2)cc1 Show InChI InChI=1S/C22H19N3O/c26-22-18-4-3-5-19-20(18)17(10-11-23-22)21(24-19)16-8-6-15(7-9-16)14-25-12-1-2-13-25/h1-9,12-13,24H,10-11,14H2,(H,23,26) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound towards human Poly (ADP-ribose) polymerase 1 (PARP-1) |
J Med Chem 45: 4961-74 (2002)
BindingDB Entry DOI: 10.7270/Q2T152ZP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093373
(2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE |...)Show InChI InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093374
(2-(4-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D--La Jolla Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme |
J Med Chem 47: 5467-81 (2004)
Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50154726
(6-(4-Fluoro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...)Show InChI InChI=1S/C18H14FN3O2/c19-12-6-4-11(5-7-12)16-15(10-21-24)13-2-1-3-14-17(13)22(16)9-8-20-18(14)23/h1-7H,8-10H2,(H,20,23) | PDB
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| CHEMBL
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PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D--La Jolla Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme |
J Med Chem 47: 5467-81 (2004)
Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093374
(2-(4-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50122772
(1-(3-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-5-3-6-14(11-13)18-21-16-8-4-7-15-17(16)23(18)10-9-20-19(15)24/h3-8,11H,9-10,12H2,1-2H3,(H,20,24) | PDB
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PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global R&D
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1 |
J Med Chem 46: 210-3 (2003)
Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50093375
(2-(3-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-5-2-6-11-12(10)17-14(16-11)8-3-1-4-9(18)7-8/h1-7,18H,(H2,15,19)(H,16,17) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University
Curated by ChEMBL
| Assay Description
In vitro inhibition against human full length PARP protein |
J Med Chem 43: 4084-97 (2000)
BindingDB Entry DOI: 10.7270/Q2MP52HJ |
More data for this
Ligand-Target Pair | |
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