Found 314 hits with Last Name = 'thompson' and Initial = 'as' 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 |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155810
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155806
((S)-3-Quinolin-3-yl-3-[1-(4-5,6,7,8-tetrahydro-[1,...)Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C29H34N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,17,19-20,25H,3-4,6-7,9,12-16,18H2,(H,30,32)(H,35,36)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155810
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155810
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155813
((R)-3-Quinolin-3-yl-4-[1-(3-5,6,7,8-tetrahydro-[1,...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C29H34N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,17,19-20,23H,3,5,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50094926
(CHEMBL3589282)Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155809
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50094927
(CHEMBL3589283)Show InChI InChI=1S/C16H15F3N2O/c1-21-8-2-3-12-14(21)9-13(20-15(12)22)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3,8H2,1H3,(H,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155808
((S)-3-[1-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1 Show InChI InChI=1S/C29H38N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,20,23,25,31H,3-4,6-7,9,12-19H2,(H,30,32)(H,35,36)/t23?,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50094926
(CHEMBL3589282)Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50155813
((R)-3-Quinolin-3-yl-4-[1-(3-5,6,7,8-tetrahydro-[1,...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C29H34N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,17,19-20,23H,3,5,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155814
(4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-...)Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)C1CNc2ccccc2C1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,20,23-24,31H,3,5,9-19H2,(H,30,32)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155812
((S)-3-Quinolin-3-yl-3-{[1-(3-5,6,7,8-tetrahydro-[1...)Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C29H33N5O4/c35-26(10-9-23-8-7-19-5-3-13-30-28(19)32-23)34-14-11-20(12-15-34)29(38)33-25(17-27(36)37)22-16-21-4-1-2-6-24(21)31-18-22/h1-2,4,6-8,16,18,20,25H,3,5,9-15,17H2,(H,30,32)(H,33,38)(H,36,37)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50155810
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50155810
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155809
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50068755
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50155810
((R)-3-(6-Methoxy-pyridin-3-yl)-4-[1-(3-5,6,7,8-tet...)Show SMILES COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C26H34N4O4/c1-34-23-8-5-20(17-28-23)21(16-25(32)33)15-18-10-13-30(14-11-18)24(31)9-7-22-6-4-19-3-2-12-27-26(19)29-22/h4-6,8,17-18,21H,2-3,7,9-16H2,1H3,(H,27,29)(H,32,33)/t21-/m1/s1 | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50068766
(2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one | ...)Show InChI InChI=1S/C15H13N3O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,16H2,1H3,(H,17,18,19) | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155811
((S)-3-({1-[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-b...)Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)CCCNC1=NCCN1)c1cnc2ccccc2c1 |t:21| Show InChI InChI=1S/C25H32N6O4/c32-22(6-3-9-26-25-27-10-11-28-25)31-12-7-17(8-13-31)24(35)30-21(15-23(33)34)19-14-18-4-1-2-5-20(18)29-16-19/h1-2,4-5,14,16-17,21H,3,6-13,15H2,(H,30,35)(H,33,34)(H2,26,27,28)/t21-/m0/s1 | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155808
((S)-3-[1-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1 Show InChI InChI=1S/C29H38N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,20,23,25,31H,3-4,6-7,9,12-19H2,(H,30,32)(H,35,36)/t23?,25-/m0/s1 | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155808
((S)-3-[1-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1 Show InChI InChI=1S/C29H38N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,20,23,25,31H,3-4,6-7,9,12-19H2,(H,30,32)(H,35,36)/t23?,25-/m0/s1 | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)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
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Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase2 (unknown origin) |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155808
((S)-3-[1-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1 Show InChI InChI=1S/C29H38N4O3/c34-27(9-3-7-24-11-10-21-6-4-14-30-29(21)32-24)33-15-12-20(13-16-33)25(18-28(35)36)23-17-22-5-1-2-8-26(22)31-19-23/h1-2,5,8,10-11,20,23,25,31H,3-4,6-7,9,12-19H2,(H,30,32)(H,35,36)/t23?,25-/m0/s1 | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50444543
(CHEMBL3098937)Show InChI InChI=1S/C15H11BrN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19) | PDB
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50094941
(CHEMBL3589285)Show InChI InChI=1S/C18H15N3O/c1-20-18(22)15-12-21(11-13-7-3-2-4-8-13)16-10-6-5-9-14(16)17(15)19-20/h2-10,12H,11H2,1H3 | PDB
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| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50444545
(CHEMBL3098940)Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | PDB
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Article
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50094927
(CHEMBL3589283)Show InChI InChI=1S/C16H15F3N2O/c1-21-8-2-3-12-14(21)9-13(20-15(12)22)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3,8H2,1H3,(H,20,22) | PDB
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| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50155809
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50155809
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
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| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)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
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| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50188594
(CHEBI:62878 | CHEMBL1086580)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
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay |
Eur J Med Chem 118: 316-27 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50068765
(8-Methyl-2-(4-trifluoromethyl-phenyl)-3H-quinazoli...)Show InChI InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)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
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase1 (unknown origin) |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50068762
(2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50341860
(8-chloro-2-(4-(4-(4-fluorophenyl)-5,6-dihydropyrid...)Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C23H23ClFN3O/c24-20-5-3-4-19-22(20)26-21(27-23(19)29)6-1-2-13-28-14-11-17(12-15-28)16-7-9-18(25)10-8-16/h3-5,7-11H,1-2,6,12-15H2,(H,26,27,29) | PDB
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University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918
BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50188248
(CHEMBL3827440)Show InChI InChI=1S/C14H9BrN2O2/c15-9-6-4-8(5-7-9)13-16-12-10(14(19)17-13)2-1-3-11(12)18/h1-7,18H,(H,16,17,19) | PDB
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University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat... |
Eur J Med Chem 118: 316-27 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)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
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| PDB
Article
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)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
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| PDB
Article
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS2 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50188594
(CHEBI:62878 | CHEMBL1086580)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
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University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat... |
Eur J Med Chem 118: 316-27 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50155814
(4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-...)Show SMILES OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)C1CNc2ccccc2C1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,20,23-24,31H,3,5,9-19H2,(H,30,32)(H,35,36) | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)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
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University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50094928
(CHEMBL3589284)Show InChI InChI=1S/C15H15ClN2O/c1-18-8-2-3-12-14(18)9-13(17-15(12)19)10-4-6-11(16)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,17,19) | PDB
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University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005
BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50188471
(CHEMBL3827272)Show InChI InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay |
Eur J Med Chem 118: 316-27 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50188469
(CHEMBL151382)Show InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)9-6-4-8(5-7-9)13-19-12-10(14(22)20-13)2-1-3-11(12)21/h1-7,21H,(H,19,20,22) | PDB
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University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat... |
Eur J Med Chem 118: 316-27 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155809
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50155809
((R)-4-[1-(3-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...)Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1 Show InChI InChI=1S/C29H38N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h7-8,17,19-20,23H,1-6,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1 | PDB
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Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin |
Bioorg Med Chem Lett 14: 5937-41 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.067
BindingDB Entry DOI: 10.7270/Q2DZ07S6 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50068752
(8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...)Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19) | PDB
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University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this
Ligand-Target Pair | |
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