Found 98 hits with Last Name = 'hearn' and Initial = 'k' 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 |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50239422
(CHEMBL234346)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)15(19(27)28)22-17(25)13-8-7-9-23(13)18(26)14(10(2)3)21-16(24)12(5)20/h10-15H,6-9,20H2,1-5H3,(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50239422
(CHEMBL234346)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)15(19(27)28)22-17(25)13-8-7-9-23(13)18(26)14(10(2)3)21-16(24)12(5)20/h10-15H,6-9,20H2,1-5H3,(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112617
(CHEMBL3608786)Show SMILES Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112628
(CHEMBL3608789)Show SMILES C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-9-10-17(16(2)27-24(32)28-19-7-5-6-18(25)13-19)12-20(15)29-23(31)21-14-26-22-8-3-4-11-30(21)22/h3-14,16H,1-2H3,(H,29,31)(H2,27,28,32)/t16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112631
(CHEMBL3608790)Show SMILES C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C25H21F3N4O2/c1-15-9-10-17(16(2)30-23(33)18-6-5-7-19(12-18)25(26,27)28)13-20(15)31-24(34)21-14-29-22-8-3-4-11-32(21)22/h3-14,16H,1-2H3,(H,30,33)(H,31,34)/t16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50112618
(CHEMBL3608787)Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112634
(CHEMBL3608791)Show SMILES C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112618
(CHEMBL3608787)Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112615
(CHEMBL3608785)Show SMILES Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H21N5O2/c1-16-10-11-17(14-25-23(30)26-18-7-3-2-4-8-18)13-19(16)27-22(29)20-15-24-21-9-5-6-12-28(20)21/h2-13,15H,14H2,1H3,(H,27,29)(H2,25,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112615
(CHEMBL3608785)Show SMILES Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H21N5O2/c1-16-10-11-17(14-25-23(30)26-18-7-3-2-4-8-18)13-19(16)27-22(29)20-15-24-21-9-5-6-12-28(20)21/h2-13,15H,14H2,1H3,(H,27,29)(H2,25,26,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM156086
(US9018214, 137)Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(13-26-18)16-31-4)15-23(30)29-17-25(2,3)24-22(29)11-20(12-27-24)10-19-8-6-5-7-9-19/h5-9,11-12,18,21,26H,10,13-17H2,1-4H3/t18-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112617
(CHEMBL3608786)Show SMILES Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM156129
(US9018214, 180)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](CN2CCCC2=O)CN1 |r| Show InChI InChI=1S/C28H37N5O2/c1-20-16-32(23(15-29-20)17-31-11-7-10-25(31)34)18-26(35)33-19-28(2,3)27-24(33)13-22(14-30-27)12-21-8-5-4-6-9-21/h4-6,8-9,13-14,20,23,29H,7,10-12,15-19H2,1-3H3/t20-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM156120
(US9018214, 171)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](Cn2cc(F)cn2)CN1 |r| Show InChI InChI=1S/C27H33FN6O/c1-19-14-32(23(13-29-19)16-33-15-22(28)12-31-33)17-25(35)34-18-27(2,3)26-24(34)10-21(11-30-26)9-20-7-5-4-6-8-20/h4-8,10-12,15,19,23,29H,9,13-14,16-18H2,1-3H3/t19-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112628
(CHEMBL3608789)Show SMILES C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-9-10-17(16(2)27-24(32)28-19-7-5-6-18(25)13-19)12-20(15)29-23(31)21-14-26-22-8-3-4-11-30(21)22/h3-14,16H,1-2H3,(H,29,31)(H2,27,28,32)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM156109
(US9018214, 160)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@H](CN1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H37N5O3/c1-20-17-32(24(16-29-20)27(35)31-9-11-36-12-10-31)18-25(34)33-19-28(2,3)26-23(33)14-22(15-30-26)13-21-7-5-4-6-8-21/h4-8,14-15,20,24,29H,9-13,16-19H2,1-3H3/t20-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50112613
(CHEMBL3608784)Show SMILES O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1 Show InChI InChI=1S/C22H19N5O2/c28-21(19-15-23-20-11-4-5-12-27(19)20)25-18-10-6-7-16(13-18)14-24-22(29)26-17-8-2-1-3-9-17/h1-13,15H,14H2,(H,25,28)(H2,24,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112634
(CHEMBL3608791)Show SMILES C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112613
(CHEMBL3608784)Show SMILES O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1 Show InChI InChI=1S/C22H19N5O2/c28-21(19-15-23-20-11-4-5-12-27(19)20)25-18-10-6-7-16(13-18)14-24-22(29)26-17-8-2-1-3-9-17/h1-13,15H,14H2,(H,25,28)(H2,24,26,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM156086
(US9018214, 137)Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(13-26-18)16-31-4)15-23(30)29-17-25(2,3)24-22(29)11-20(12-27-24)10-19-8-6-5-7-9-19/h5-9,11-12,18,21,26H,10,13-17H2,1-4H3/t18-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM156119
(US9018214, 170)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@H](CN1)C(=O)N(C)C |r| Show InChI InChI=1S/C26H35N5O2/c1-18-15-30(22(14-27-18)25(33)29(4)5)16-23(32)31-17-26(2,3)24-21(31)12-20(13-28-24)11-19-9-7-6-8-10-19/h6-10,12-13,18,22,27H,11,14-17H2,1-5H3/t18-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180851
(CHEMBL3818085 | US10144731, Example 54)Show SMILES CN(Cc1cc(ccc1Cl)[C@H](CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H23ClN4O4S/c1-28(34(32,33)19-6-4-3-5-7-19)15-18-12-16(8-10-21(18)25)20(14-24(30)31)17-9-11-23-22(13-17)26-27-29(23)2/h3-13,20H,14-15H2,1-2H3,(H,30,31)/t20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infe... |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112613
(CHEMBL3608784)Show SMILES O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1 Show InChI InChI=1S/C22H19N5O2/c28-21(19-15-23-20-11-4-5-12-27(19)20)25-18-10-6-7-16(13-18)14-24-22(29)26-17-8-2-1-3-9-17/h1-13,15H,14H2,(H,25,28)(H2,24,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112618
(CHEMBL3608787)Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112624
(CHEMBL3608788)Show SMILES C[C@@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50112624
(CHEMBL3608788)Show SMILES C[C@@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143 BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50180850
(CHEMBL3819587)Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of OATP1B1 (unknown origin) |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50180852
(CHEMBL3819169 | US10144731, Example 136)Show SMILES CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(C)(=O)=O Show InChI InChI=1S/C19H21ClN4O4S/c1-23(29(3,27)28)11-14-8-12(4-6-16(14)20)15(10-19(25)26)13-5-7-18-17(9-13)21-22-24(18)2/h4-9,15H,10-11H2,1-3H3,(H,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infe... |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50216689
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+ | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50180850
(CHEMBL3819587)Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of BSEP (unknown origin) |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50216692
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29)/b15-11+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50216691
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H14ClN3O2/c24-19-7-2-1-5-17(19)22-11-10-16(29-22)13-15(14-25)23(28)27-21-9-3-8-20-18(21)6-4-12-26-20/h1-13H,(H,27,28)/b15-13+ | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50216688
(2-cyano-N-(quinolin-5-yl)-3-(5-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)17-5-1-4-15(12-17)22-10-9-18(32-22)13-16(14-28)23(31)30-21-8-2-7-20-19(21)6-3-11-29-20/h1-13H,(H,30,31)/b16-13+ | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50216693
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)/b14-12+ | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM50180850
(CHEMBL3819587)Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r| Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PDE3A (unknown origin) |
J Med Chem 59: 3991-4006 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50216685
((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...)Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12 Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50216688
(2-cyano-N-(quinolin-5-yl)-3-(5-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)17-5-1-4-15(12-17)22-10-9-18(32-22)13-16(14-28)23(31)30-21-8-2-7-20-19(21)6-3-11-29-20/h1-13H,(H,30,31)/b16-13+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50216686
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1 Show InChI InChI=1S/C23H14ClN3O2/c24-19-8-2-1-7-18(19)21-11-10-17(29-21)13-16(14-25)23(28)27-20-9-3-5-15-6-4-12-26-22(15)20/h1-13H,(H,27,28)/b16-13+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50216693
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)/b14-12+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50216690
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4cccnc34)o2)c1Cl Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-7-2-6-17(21(18)25)20-10-9-16(30-20)12-15(13-26)23(29)28-19-8-1-4-14-5-3-11-27-22(14)19/h1-12H,(H,28,29)/b15-12+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50216691
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H14ClN3O2/c24-19-7-2-1-5-17(19)22-11-10-16(29-22)13-15(14-25)23(28)27-21-9-3-8-20-18(21)6-4-12-26-20/h1-13H,(H,27,28)/b15-13+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50216689
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50216685
((4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin...)Show SMILES [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12 Show InChI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50216693
(2-cyano-3-(5-(2,3-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl Show InChI InChI=1S/C23H13Cl2N3O2/c24-18-6-1-4-17(22(18)25)21-10-9-15(30-21)12-14(13-26)23(29)28-20-8-2-7-19-16(20)5-3-11-27-19/h1-12H,(H,28,29)/b14-12+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50216691
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H14ClN3O2/c24-19-7-2-1-5-17(19)22-11-10-16(29-22)13-15(14-25)23(28)27-21-9-3-8-20-18(21)6-4-12-26-20/h1-13H,(H,27,28)/b15-13+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50216687
(2-cyano-N-(quinolin-8-yl)-3-(5-(3-(trifluoromethyl...)Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1 Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)18-7-1-5-16(12-18)21-10-9-19(32-21)13-17(14-28)23(31)30-20-8-2-4-15-6-3-11-29-22(15)20/h1-13H,(H,30,31)/b17-13+ | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50216686
(3-(5-(2-chlorophenyl)furan-2-yl)-2-cyano-N-(quinol...)Show SMILES Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1 Show InChI InChI=1S/C23H14ClN3O2/c24-19-8-2-1-7-18(19)21-11-10-17(29-21)13-16(14-25)23(28)27-20-9-3-5-15-6-4-12-26-22(15)20/h1-13H,(H,27,28)/b16-13+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50216692
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29)/b15-11+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50216692
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29)/b15-11+ | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay |
Science 317: 516-9 (2007)
Article DOI: 10.1126/science.1143780 BindingDB Entry DOI: 10.7270/Q2D50MPG |
More data for this Ligand-Target Pair | |