Found 18 hits of Enzyme Inhibition Constant Data 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 |
|---|
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92732
(NSC332395, 4)Show SMILES CCn1c2ccccc2c2cc(CN=Nc3cc(C)nc4cc5OCOc5cc34)ccc12 |w:14.15| Show InChI InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92729
(NSC332398, 1)Show SMILES CC(N=Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O |w:3.3| Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92731
(NSC332389, 3)Show SMILES Cc1cc(N=NCc2ccc3OCOc3c2)c2cc3OCOc3cc2n1 |w:4.3| Show InChI InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-7H,8-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92730
(NSC332384, 2)Show SMILES COc1cccc(CN=Nc2cc(C)nc3cc4OCOc4cc23)c1 |w:9.9| Show InChI InChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-9H,10-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92733
(NSC332396, 5)Show SMILES Cc1c(CN=Nc2cc(C)nc3cc4OCOc4cc23)c(=O)n(-c2ccccc2)n1C |w:5.5| Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)25-14)26-24-12-18-15(2)27(3)28(23(18)29)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92740
(NSC614430, 13)Show SMILES Nc1nnc2nc(CC(=O)c3ccccc3[N+]([O-])=O)c(CC(=O)c3ccccc3[N+]([O-])=O)nn12 Show InChI InChI=1S/C20H14N8O6/c21-19-23-24-20-22-13(9-17(29)11-5-1-3-7-15(11)27(31)32)14(25-26(19)20)10-18(30)12-6-2-4-8-16(12)28(33)34/h1-8H,9-10H2,(H2,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92738
(NSC131534, 11)Show SMILES COc1ccc(cc1)[C-](Cc1ccccc1)\N=[NH+]\c1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C21H17N4O5/c1-30-18-10-7-16(8-11-18)19(13-15-5-3-2-4-6-15)23-22-17-9-12-20(24(26)27)21(14-17)25(28)29/h2-12,14H,13H2,1H3/q-1/p+1/b23-22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92735
(NSC300598, 7)Show SMILES CC(N=Nc1cc(C)nc2ccc(C)cc12)c1cn(C)n(-c2ccccc2)c1=O |w:3.3| Show InChI InChI=1S/C23H23N5O/c1-15-10-11-21-19(12-15)22(13-16(2)24-21)26-25-17(3)20-14-27(4)28(23(20)29)18-8-6-5-7-9-18/h5-14,17H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92736
(NSC89640, 9)Show SMILES OC(=O)C(CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C18H18N6O10/c25-18(26)15(20-14-7-5-12(22(29)30)10-17(14)24(33)34)3-1-2-8-19-13-6-4-11(21(27)28)9-16(13)23(31)32/h4-7,9-10,15,19-20H,1-3,8H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92737
(NSC107215, 10)Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C/c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H22N4O6/c27-21(13-7-17-3-9-19(10-4-17)25(29)30)23-15-1-2-16-24-22(28)14-8-18-5-11-20(12-6-18)26(31)32/h3-14H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7-,14-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92739
(NSC375491, 12 | US9624235, Compound 12)Show SMILES COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3cc4OCOc4cc23)c(OC)c1 |t:7| Show InChI InChI=1S/C24H24O6/c1-24(2)10-16(25)23-21(11-24)30-18-9-20-19(28-12-29-20)8-15(18)22(23)14-6-5-13(26-3)7-17(14)27-4/h5-9,22H,10-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92741
(NSC402686, 14)Show SMILES O=C(CC(=Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1 |w:4.4| Show InChI InChI=1S/C22H17NO2/c24-21(17-10-4-1-5-11-17)16-20(23-19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-15H,16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92731
(NSC332389, 3)Show SMILES Cc1cc(N=NCc2ccc3OCOc3c2)c2cc3OCOc3cc2n1 |w:4.3| Show InChI InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-7H,8-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti... |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92732
(NSC332395, 4)Show SMILES CCn1c2ccccc2c2cc(CN=Nc3cc(C)nc4cc5OCOc5cc34)ccc12 |w:14.15| Show InChI InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti... |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92729
(NSC332398, 1)Show SMILES CC(N=Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O |w:3.3| Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti... |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92730
(NSC332384, 2)Show SMILES COc1cccc(CN=Nc2cc(C)nc3cc4OCOc4cc23)c1 |w:9.9| Show InChI InChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-9H,10-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti... |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92733
(NSC332396, 5)Show SMILES Cc1c(CN=Nc2cc(C)nc3cc4OCOc4cc23)c(=O)n(-c2ccccc2)n1C |w:5.5| Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)25-14)26-24-12-18-15(2)27(3)28(23(18)29)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti... |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92742
(NSC332410, 8 | US9624235, Compound 8)Show SMILES C\C(=N/Nc1cc(C)c2ccccc2n1)c1cn(C)n(-c2ccccc2)c1=O Show InChI InChI=1S/C22H21N5O/c1-15-13-21(23-20-12-8-7-11-18(15)20)25-24-16(2)19-14-26(3)27(22(19)28)17-9-5-4-6-10-17/h4-14H,1-3H3,(H,23,25)/b24-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti... |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
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