Found 126 hits with Last Name = 'alicke' and Initial = 'b' 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 |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50398400
(CHEMBL2178606)Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177662
(CHEMBL3813842)Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177664
(CHEMBL3814414)Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(CCOC3(C)C)c2n1 Show InChI InChI=1S/C19H24N8O2/c1-11-12(10-21-18(20)22-11)14-24-15(26-4-7-28-8-5-26)13-16(25-14)27-6-9-29-19(2,3)17(27)23-13/h10H,4-9H2,1-3H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50398399
(CHEMBL2178608)Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177668
(CHEMBL3814925)Show SMILES Cn1c(nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1)C1(O)COC1 Show InChI InChI=1S/C17H20N8O3/c1-24-13-11(21-15(24)17(26)8-28-9-17)14(25-2-4-27-5-3-25)23-12(22-13)10-6-19-16(18)20-7-10/h6-7,26H,2-5,8-9H2,1H3,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177669
(CHEMBL3814544)Show SMILES Cn1c(nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1)C1CCC1 Show InChI InChI=1S/C18H22N8O/c1-25-15(11-3-2-4-11)22-13-16(25)23-14(12-9-20-18(19)21-10-12)24-17(13)26-5-7-27-8-6-26/h9-11H,2-8H2,1H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177666
(CHEMBL3813906)Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(n(CCO)c2n1)C(C)(C)O Show InChI InChI=1S/C19H26N8O3/c1-11-12(10-21-18(20)22-11)14-24-15(26-5-8-30-9-6-26)13-16(25-14)27(4-7-28)17(23-13)19(2,3)29/h10,28-29H,4-9H2,1-3H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50358204
(CHEMBL1922094)Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r| Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177670
(CHEMBL3814365)Show InChI InChI=1S/C16H20N8O/c1-3-11-20-12-14(23(11)2)21-13(10-8-18-16(17)19-9-10)22-15(12)24-4-6-25-7-5-24/h8-9H,3-7H2,1-2H3,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177667
(CHEMBL3815084)Show SMILES COC1(COC1)c1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3/c1-25-14-12(22-16(25)18(27-2)9-29-10-18)15(26-3-5-28-6-4-26)24-13(23-14)11-7-20-17(19)21-8-11/h7-8H,3-6,9-10H2,1-2H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398399
(CHEMBL2178608)Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398399
(CHEMBL2178608)Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177671
(CHEMBL3814933)Show InChI InChI=1S/C14H16N8O/c1-21-8-18-10-12(21)19-11(9-6-16-14(15)17-7-9)20-13(10)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398400
(CHEMBL2178606)Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398400
(CHEMBL2178606)Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398398
(CHEMBL2178613)Show SMILES CC1(C)OCCc2c1sc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O2S/c1-19(2)15-12(3-6-27-19)13-14(28-15)17(25-4-7-26-8-5-25)24-16(23-13)11-9-21-18(20)22-10-11/h9-10H,3-8H2,1-2H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50358204
(CHEMBL1922094)Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r| Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398397
(CHEMBL2178614)Show SMILES CC1(C)COC1c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H22N6O2S/c1-19(2)10-27-15(19)13-7-12-14(28-13)17(25-3-5-26-6-4-25)24-16(23-12)11-8-21-18(20)22-9-11/h7-9,15H,3-6,10H2,1-2H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50312613
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2 [266-354]
(Homo sapiens (Human)) | BDBM27919
(Azabicyclooctane scaffold, 14b | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27920
(Azabicyclooctane scaffold, 14c | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H37FN4O3/c1-16(30-5)25(34)32-24(28(2,3)4)27(36)33-15-14-17-10-13-22(23(17)33)31-26(35)20-11-12-21(29)19-9-7-6-8-18(19)20/h6-9,11-12,16-17,22-24,30H,10,13-15H2,1-5H3,(H,31,35)(H,32,34)/t16-,17+,22-,23-,24+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | -41.9 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27942
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 43 | -41.6 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27919
(Azabicyclooctane scaffold, 14b | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 46 | -41.5 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27921
(Azabicyclooctane scaffold, 14d | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | -40.7 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50177662
(CHEMBL3813842)Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27918
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 82 | -40.0 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27923
(Azabicyclooctane scaffold, 14f | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4ccccc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-15-14-19-12-13-22(23(19)32)30-26(34)21-11-10-18-8-6-7-9-20(18)16-21/h6-11,16-17,19,22-24,29H,12-15H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 91 | -39.8 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27927
(Azabicyclooctane scaffold, 14j | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4occc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,11,13-16,19,21-22,27H,6,8,10,12H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 100 | -39.6 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27935
(Azabicyclooctane scaffold, 14r | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3csc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O3S/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 110 | -39.3 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27922
(Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 110 | -39.3 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27922
(Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2 [266-354]
(Homo sapiens (Human)) | BDBM27918
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27919
(Azabicyclooctane scaffold, 14b | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27935
(Azabicyclooctane scaffold, 14r | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3csc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O3S/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27921
(Azabicyclooctane scaffold, 14d | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27920
(Azabicyclooctane scaffold, 14c | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H37FN4O3/c1-16(30-5)25(34)32-24(28(2,3)4)27(36)33-15-14-17-10-13-22(23(17)33)31-26(35)20-11-12-21(29)19-9-7-6-8-18(19)20/h6-9,11-12,16-17,22-24,30H,10,13-15H2,1-5H3,(H,31,35)(H,32,34)/t16-,17+,22-,23-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27931
(Azabicyclooctane scaffold, 14n | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4nn[nH]c4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C24H35N7O3/c1-13(25-5)21(32)27-20(24(2,3)4)23(34)31-11-10-14-6-9-17(19(14)31)26-22(33)15-7-8-16-18(12-15)29-30-28-16/h7-8,12-14,17,19-20,25H,6,9-11H2,1-5H3,(H,26,33)(H,27,32)(H,28,29,30)/t13-,14+,17-,19-,20+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| 260 | -37.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27940
((2S)-N-[(2S)-1-[(2S)-2-[(1,1-diphenylacetamido)met...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O3/c1-20(30-5)26(34)32-25(29(2,3)4)28(36)33-18-12-17-23(33)19-31-27(35)24(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23-25,30H,12,17-19H2,1-5H3,(H,31,35)(H,32,34)/t20-,23-,25+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 290 | -36.9 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27936
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[methyl(phenyl)car...)Show SMILES [H][C@]12CC[C@H](NC(=O)N(C)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C25H39N5O3/c1-16(26-5)22(31)28-21(25(2,3)4)23(32)30-15-14-17-12-13-19(20(17)30)27-24(33)29(6)18-10-8-7-9-11-18/h7-11,16-17,19-21,26H,12-15H2,1-6H3,(H,27,33)(H,28,31)/t16-,17+,19-,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27942
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 345 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27934
(Azabicyclooctane scaffold, 14q | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3coc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 440 | -35.9 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27927
(Azabicyclooctane scaffold, 14j | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4occc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,11,13-16,19,21-22,27H,6,8,10,12H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27924
(Azabicyclooctane scaffold, 14g | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-13-16-11-12-18(19(16)28)26-22(30)17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,16+,18-,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27918
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27937
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(...)Show SMILES [H][C@]12CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C25H38FN5O3/c1-15(27-5)22(32)29-21(25(2,3)4)23(33)31-14-13-16-7-12-19(20(16)31)28-24(34)30(6)18-10-8-17(26)9-11-18/h8-11,15-16,19-21,27H,7,12-14H2,1-6H3,(H,28,34)(H,29,32)/t15-,16+,19-,20-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM27934
(Azabicyclooctane scaffold, 14q | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3coc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27937
((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(...)Show SMILES [H][C@]12CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C25H38FN5O3/c1-15(27-5)22(32)29-21(25(2,3)4)23(33)31-14-13-16-7-12-19(20(16)31)28-24(34)30(6)18-10-8-17(26)9-11-18/h8-11,15-16,19-21,27H,7,12-14H2,1-6H3,(H,28,34)(H,29,32)/t15-,16+,19-,20-,21+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 740 | -34.6 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27928
(Azabicyclooctane scaffold, 14k | N-[(3aR,6S,6aS)-1...)Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4OCCc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H38N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,14-16,19,21-22,27H,6,8,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 780 | -34.5 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | |
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM27941
(N-{[(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylami...)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cccc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O3/c1-17(27-5)23(31)29-22(26(2,3)4)25(33)30-15-9-12-19(30)16-28-24(32)21-14-8-11-18-10-6-7-13-20(18)21/h6-8,10-11,13-14,17,19,22,27H,9,12,15-16H2,1-5H3,(H,28,32)(H,29,31)/t17-,19-,22+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 780 | -34.5 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech, Inc.
| Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
J Med Chem 52: 1723-30 (2009)
Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50177666
(CHEMBL3813906)Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(n(CCO)c2n1)C(C)(C)O Show InChI InChI=1S/C19H26N8O3/c1-11-12(10-21-18(20)22-11)14-24-15(26-5-8-30-9-6-26)13-16(25-14)27(4-7-28)17(23-13)19(2,3)29/h10,28-29H,4-9H2,1-3H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005 BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this Ligand-Target Pair | |