Found 201 hits with Last Name = 'talbot' and Initial = 'ac' 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 |
|---|
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135575
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(cc[nH]c3=O)c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H24F2N4O3/c1-16(13-17-7-10-22(30)23(31)14-17)27(36)34-26-29(38)35(2)24-6-4-3-5-21(24)25(33-26)19-8-9-20-18(15-19)11-12-32-28(20)37/h3-12,14-16,26H,13H2,1-2H3,(H,32,37)(H,34,36)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135589
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)NCCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H26F2N4O3/c1-16(13-17-7-10-22(30)23(31)14-17)27(36)34-26-29(38)35(2)24-6-4-3-5-21(24)25(33-26)19-8-9-20-18(15-19)11-12-32-28(20)37/h3-10,14-16,26H,11-13H2,1-2H3,(H,32,37)(H,34,36)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135578
(4-{3-[(S)-3-(3,4-Difluoro-phenyl)-2-methyl-propion...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC1N=C(c2ccc(cc2)C(N)=O)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H24F2N4O3/c1-15(13-16-7-12-20(28)21(29)14-16)26(35)32-25-27(36)33(2)22-6-4-3-5-19(22)23(31-25)17-8-10-18(11-9-17)24(30)34/h3-12,14-15,25H,13H2,1-2H3,(H2,30,34)(H,32,35)/t15-,25?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135579
((S)-N-[(S)-5-Benzo[1,3]dioxol-5-yl-1-(2-hydroxy-et...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CCO)C1=O |t:16| Show InChI InChI=1S/C28H25F2N3O5/c1-16(12-17-6-8-20(29)21(30)13-17)27(35)32-26-28(36)33(10-11-34)22-5-3-2-4-19(22)25(31-26)18-7-9-23-24(14-18)38-15-37-23/h2-9,13-14,16,26,34H,10-12,15H2,1H3,(H,32,35)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135584
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(c2)occc3=O)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H23F2N3O4/c1-16(13-17-7-10-21(30)22(31)14-17)28(36)33-27-29(37)34(2)23-6-4-3-5-19(23)26(32-27)18-8-9-20-24(35)11-12-38-25(20)15-18/h3-12,14-16,27H,13H2,1-2H3,(H,33,36)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135582
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-2-oxo-2,3-dihyd...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2NC1=O |t:16| Show InChI InChI=1S/C26H21F2N3O4/c1-14(10-15-6-8-18(27)19(28)11-15)25(32)31-24-26(33)29-20-5-3-2-4-17(20)23(30-24)16-7-9-21-22(12-16)35-13-34-21/h2-9,11-12,14,24H,10,13H2,1H3,(H,29,33)(H,31,32)/t14-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135586
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-methylcarbamo...)Show SMILES CNC(=O)CN1c2ccccc2C(=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O)c1ccc2OCOc2c1 |c:13| Show InChI InChI=1S/C29H26F2N4O5/c1-16(11-17-7-9-20(30)21(31)12-17)28(37)34-27-29(38)35(14-25(36)32-2)22-6-4-3-5-19(22)26(33-27)18-8-10-23-24(13-18)40-15-39-23/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,32,36)(H,34,37)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135591
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)CCCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C30H27F2N3O3/c1-17(14-18-10-13-23(31)24(32)15-18)29(37)34-28-30(38)35(2)25-8-4-3-7-22(25)27(33-28)20-11-12-21-19(16-20)6-5-9-26(21)36/h3-4,7-8,10-13,15-17,28H,5-6,9,14H2,1-2H3,(H,34,37)/t17-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135581
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)CCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H25F2N3O3/c1-16(13-17-7-11-22(30)23(31)14-17)28(36)33-27-29(37)34(2)24-6-4-3-5-21(24)26(32-27)19-8-10-20-18(15-19)9-12-25(20)35/h3-8,10-11,14-16,27H,9,12-13H2,1-2H3,(H,33,36)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135590
((S)-N-[(S)-5-Benzo[1,3]dioxol-5-yl-2-oxo-1-(3-oxo-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CCC(C)=O)C1=O |t:16| Show InChI InChI=1S/C30H27F2N3O5/c1-17(13-19-7-9-22(31)23(32)14-19)29(37)34-28-30(38)35(12-11-18(2)36)24-6-4-3-5-21(24)27(33-28)20-8-10-25-26(15-20)40-16-39-25/h3-10,14-15,17,28H,11-13,16H2,1-2H3,(H,34,37)/t17-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135588
((S)-3-(3,4-Difluoro-phenyl)-N-[(S)-5-(2,3-dihydro-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCCOc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C28H25F2N3O4/c1-16(13-17-7-9-20(29)21(30)14-17)27(34)32-26-28(35)33(2)22-6-4-3-5-19(22)25(31-26)18-8-10-23-24(15-18)37-12-11-36-23/h3-10,14-16,26H,11-13H2,1-2H3,(H,32,34)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135577
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-dimethylcarba...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CC(=O)N(C)C)C1=O |t:16| Show InChI InChI=1S/C30H28F2N4O5/c1-17(12-18-8-10-21(31)22(32)13-18)29(38)34-28-30(39)36(15-26(37)35(2)3)23-7-5-4-6-20(23)27(33-28)19-9-11-24-25(14-19)41-16-40-24/h4-11,13-14,17,28H,12,15-16H2,1-3H3,(H,34,38)/t17-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135583
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-carbamoylmeth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CC(N)=O)C1=O |t:16| Show InChI InChI=1S/C28H24F2N4O5/c1-15(10-16-6-8-19(29)20(30)11-16)27(36)33-26-28(37)34(13-24(31)35)21-5-3-2-4-18(21)25(32-26)17-7-9-22-23(12-17)39-14-38-22/h2-9,11-12,15,26H,10,13-14H2,1H3,(H2,31,35)(H,33,36)/t15-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135585
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-methyl-2-oxo-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H23F2N3O4/c1-15(11-16-7-9-19(28)20(29)12-16)26(33)31-25-27(34)32(2)21-6-4-3-5-18(21)24(30-25)17-8-10-22-23(13-17)36-14-35-22/h3-10,12-13,15,25H,11,14H2,1-2H3,(H,31,33)/t15-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135587
(CHEMBL335994 | {(S)-5-Benzo[1,3]dioxol-5-yl-3-[(S)...)Show SMILES COC(=O)CN1c2ccccc2C(=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O)c1ccc2OCOc2c1 |c:13| Show InChI InChI=1S/C29H25F2N3O6/c1-16(11-17-7-9-20(30)21(31)12-17)28(36)33-27-29(37)34(14-25(35)38-2)22-6-4-3-5-19(22)26(32-27)18-8-10-23-24(13-18)40-15-39-23/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,33,36)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135576
((S)-N-[(S)-5-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OC(F)(F)Oc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H21F4N3O4/c1-14(11-15-7-9-18(28)19(29)12-15)25(35)33-24-26(36)34(2)20-6-4-3-5-17(20)23(32-24)16-8-10-21-22(13-16)38-27(30,31)37-21/h3-10,12-14,24H,11H2,1-2H3,(H,33,35)/t14-,24+/m0/s1 | PDB
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UniChem
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM628372
(3-((1-(3-(1H-pyrrol-1-yl)butanoyl)-4-hydroxypiperi...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1)n1cccc1 | PDB
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| | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM50450959
(CHEMBL4210698 | US11795171, Compound I-56)Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O3/c1-17(18-6-3-2-4-7-18)14-20(27)24-12-9-22(29,10-13-24)15-25-16-23-26-11-5-8-19(26)21(25)28/h2-8,11,16-17,29H,9-10,12-15H2,1H3/t17-/m1/s1 | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457130
(CHEMBL4203456)Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1cnn(c1)C1CNC1 |r| Show InChI InChI=1S/C21H25N5O2/c1-13-11-24(21(28)15-3-4-15)20-7-16(5-6-19(20)26(13)14(2)27)17-8-23-25(12-17)18-9-22-10-18/h5-8,12-13,15,18,22H,3-4,9-11H2,1-2H3/t13-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (... |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457141
(CHEMBL4215658)Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)N1CCS(=O)(=O)CC1 |r| Show InChI InChI=1S/C25H29N3O4S/c1-17-16-27(25(30)20-3-4-20)24-15-21(7-10-23(24)28(17)18(2)29)19-5-8-22(9-6-19)26-11-13-33(31,32)14-12-26/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3/t17-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (... |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50135574
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3NC(=O)CCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H26F2N4O3/c1-16(13-17-7-10-21(30)22(31)14-17)28(37)34-27-29(38)35(2)24-6-4-3-5-20(24)26(33-27)19-8-11-23-18(15-19)9-12-25(36)32-23/h3-8,10-11,14-16,27H,9,12-13H2,1-2H3,(H,32,36)(H,34,37)/t16-,27+/m0/s1 | PDB
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| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7 [208-1102]
(Homo sapiens (Human)) | BDBM421629
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3 | PDB
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UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Valo Early Discovery, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10836741 (2020)
BindingDB Entry DOI: 10.7270/Q2QF8WXH |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7 [208-1102]
(Homo sapiens (Human)) | BDBM472840
((R)-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-...)Show SMILES COc1cccc2c1ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O Show InChI InChI=1S/C25H29N3O4/c1-18(19-7-4-3-5-8-19)15-22(29)27-13-11-25(31,12-14-27)16-28-17-26-23-20(24(28)30)9-6-10-21(23)32-2/h3-10,17-18,31H,11-16H2,1-2H3 | PDB
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| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Valo Early Discovery, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10836741 (2020)
BindingDB Entry DOI: 10.7270/Q2QF8WXH |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7 [208-1102]
(Homo sapiens (Human)) | BDBM421825
(N-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-y...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(C)=O)ccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4/c1-18(20-6-4-3-5-7-20)14-24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-15-21(28-19(2)31)8-9-22(23)25(30)33/h3-9,15,17-18,34H,10-14,16H2,1-2H3,(H,28,31) | PDB
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Valo Early Discovery, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10836741 (2020)
BindingDB Entry DOI: 10.7270/Q2QF8WXH |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7 [208-1102]
(Homo sapiens (Human)) | BDBM421824
(7-amino-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidi...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(N)ccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C24H28N4O3/c1-17(18-5-3-2-4-6-18)13-22(29)27-11-9-24(31,10-12-27)15-28-16-26-21-14-19(25)7-8-20(21)23(28)30/h2-8,14,16-17,31H,9-13,15,25H2,1H3 | PDB
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| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Valo Early Discovery, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10836741 (2020)
BindingDB Entry DOI: 10.7270/Q2QF8WXH |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421629
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10513507 (2019)
BindingDB Entry DOI: 10.7270/Q2CC132B |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421823
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3c(C)cccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C25H29N3O3/c1-18-7-6-10-21-23(18)26-17-28(24(21)30)16-25(31)11-13-27(14-12-25)22(29)15-19(2)20-8-4-3-5-9-20/h3-10,17,19,31H,11-16H2,1-2H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10513507 (2019)
BindingDB Entry DOI: 10.7270/Q2CC132B |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421824
(7-amino-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidi...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(N)ccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C24H28N4O3/c1-17(18-5-3-2-4-6-18)13-22(29)27-11-9-24(31,10-12-27)15-28-16-26-21-14-19(25)7-8-20(21)23(28)30/h2-8,14,16-17,31H,9-13,15,25H2,1H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10513507 (2019)
BindingDB Entry DOI: 10.7270/Q2CC132B |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421825
(N-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-y...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(C)=O)ccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4/c1-18(20-6-4-3-5-7-20)14-24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-15-21(28-19(2)31)8-9-22(23)25(30)33/h3-9,15,17-18,34H,10-14,16H2,1-2H3,(H,28,31) | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10513507 (2019)
BindingDB Entry DOI: 10.7270/Q2CC132B |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421629
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10513507 (2019)
BindingDB Entry DOI: 10.7270/Q2CC132B |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421823
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3c(C)cccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C25H29N3O3/c1-18-7-6-10-21-23(18)26-17-28(24(21)30)16-25(31)11-13-27(14-12-25)22(29)15-19(2)20-8-4-3-5-9-20/h3-10,17,19,31H,11-16H2,1-2H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10513507 (2019)
BindingDB Entry DOI: 10.7270/Q2CC132B |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421629
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10508098 (2019)
BindingDB Entry DOI: 10.7270/Q2XG9THW |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421823
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3c(C)cccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C25H29N3O3/c1-18-7-6-10-21-23(18)26-17-28(24(21)30)16-25(31)11-13-27(14-12-25)22(29)15-19(2)20-8-4-3-5-9-20/h3-10,17,19,31H,11-16H2,1-2H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10508098 (2019)
BindingDB Entry DOI: 10.7270/Q2XG9THW |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421824
(7-amino-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidi...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(N)ccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C24H28N4O3/c1-17(18-5-3-2-4-6-18)13-22(29)27-11-9-24(31,10-12-27)15-28-16-26-21-14-19(25)7-8-20(21)23(28)30/h2-8,14,16-17,31H,9-13,15,25H2,1H3 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10508098 (2019)
BindingDB Entry DOI: 10.7270/Q2XG9THW |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421825
(N-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-y...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(C)=O)ccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C26H30N4O4/c1-18(20-6-4-3-5-7-20)14-24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-15-21(28-19(2)31)8-9-22(23)25(30)33/h3-9,15,17-18,34H,10-14,16H2,1-2H3,(H,28,31) | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10508098 (2019)
BindingDB Entry DOI: 10.7270/Q2XG9THW |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421826
((R)-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-...)Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)C[C@@H](C)c1ccccc1)c2=O |r| Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3/t18-/m1/s1 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10508098 (2019)
BindingDB Entry DOI: 10.7270/Q2XG9THW |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM421827
((R)-3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-...)Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(C)cccc3c2=O)CC1)c1ccccc1 |r| Show InChI InChI=1S/C25H29N3O3/c1-18-7-6-10-21-23(18)26-17-28(24(21)30)16-25(31)11-13-27(14-12-25)22(29)15-19(2)20-8-4-3-5-9-20/h3-10,17,19,31H,11-16H2,1-2H3/t19-/m1/s1 | PDB
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FORMA Therapeutics, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10508098 (2019)
BindingDB Entry DOI: 10.7270/Q2XG9THW |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7 [208-1102]
(Homo sapiens (Human)) | BDBM421629
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES COc1ccc2c(c1)ncn(CC1(O)CCN(CC1)C(=O)CC(C)c1ccccc1)c2=O Show InChI InChI=1S/C25H29N3O4/c1-18(19-6-4-3-5-7-19)14-23(29)27-12-10-25(31,11-13-27)16-28-17-26-22-15-20(32-2)8-9-21(22)24(28)30/h3-9,15,17-18,31H,10-14,16H2,1-2H3 | PDB
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Valo Early Discovery, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10836741 (2020)
BindingDB Entry DOI: 10.7270/Q2QF8WXH |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7 [208-1102]
(Homo sapiens (Human)) | BDBM421823
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnc3c(C)cccc3c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C25H29N3O3/c1-18-7-6-10-21-23(18)26-17-28(24(21)30)16-25(31)11-13-27(14-12-25)22(29)15-19(2)20-8-4-3-5-9-20/h3-10,17,19,31H,11-16H2,1-2H3 | PDB
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Valo Early Discovery, Inc.
US Patent
| Assay Description
Each assay was performed in a final volume of 15 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46... |
US Patent US10836741 (2020)
BindingDB Entry DOI: 10.7270/Q2QF8WXH |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM628396
((R)-N-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin...)Show SMILES C[C@H](CC(=O)N1CCC(O)(Cn2cnn3cc(NC(C)=O)cc3c2=O)CC1)c1ccccc1 | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM628397
((R)-1-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin...)Show SMILES CNC(=O)Nc1cc2n(c1)ncn(CC1(O)CCN(CC1)C(=O)C[C@@H](C)c1ccccc1)c2=O | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM628391
(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnn3c(C)ccc3c2=O)CC1)c1ccccc1 | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM628340
(3-((4-hydroxy-1-(3-(1-methyl-1H-indol-2-yl)benzoyl...)Show SMILES Cn1c(cc2ccccc12)-c1cccc(c1)C(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1 | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 7
(Homo sapiens (Human)) | BDBM628316
(3-((4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)m...)Show SMILES CC(CC(=O)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1)c1ccccc1 | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457145
(CHEMBL4211224)Show SMILES CC(C)OC(=O)N1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N2O5S/c1-14(2)29-22(26)23-13-15(3)24(16(4)25)20-11-8-18(12-21(20)23)17-6-9-19(10-7-17)30(5,27)28/h6-12,14-15H,13H2,1-5H3/t15-/m0/s1 | PDB
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FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (... |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457140
(CHEMBL4211739)Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1cnn(c1)C1COC1 |r| Show InChI InChI=1S/C21H24N4O3/c1-13-9-23(21(27)15-3-4-15)20-7-16(5-6-19(20)25(13)14(2)26)17-8-22-24(10-17)18-11-28-12-18/h5-8,10,13,15,18H,3-4,9,11-12H2,1-2H3/t13-/m0/s1 | PDB
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FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (... |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457129
(CHEMBL4208315)Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C26H30N4O3/c1-17-16-29(26(33)21-7-8-21)24-15-22(9-10-23(24)30(17)18(2)31)19-3-5-20(6-4-19)25(32)28-13-11-27-12-14-28/h3-6,9-10,15,17,21,27H,7-8,11-14,16H2,1-2H3/t17-/m0/s1 | PDB
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FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (... |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457132
(CHEMBL4217059)Show SMILES C[C@H]1CN(C(=O)c2ccco2)c2cc(ccc2N1C(C)=O)-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H20N4O3/c1-13-11-23(20(26)19-5-4-8-27-19)18-9-15(16-10-21-22(3)12-16)6-7-17(18)24(13)14(2)25/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1 | PDB
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FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (... |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457133
(CHEMBL4206854)Show SMILES CC(C)n1cc(cn1)-c1ccc2N([C@@H](C)CN(C(=O)C3CC3)c2c1)C(C)=O |r| Show InChI InChI=1S/C21H26N4O2/c1-13(2)24-12-18(10-22-24)17-7-8-19-20(9-17)23(21(27)16-5-6-16)11-14(3)25(19)15(4)26/h7-10,12-14,16H,5-6,11H2,1-4H3/t14-/m0/s1 | PDB
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FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (... |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50457141
(CHEMBL4215658)Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)N1CCS(=O)(=O)CC1 |r| Show InChI InChI=1S/C25H29N3O4S/c1-17-16-27(25(30)20-3-4-20)24-15-21(7-10-23(24)28(17)18(2)29)19-5-8-22(9-6-19)26-11-13-33(31,32)14-12-26/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3/t17-/m0/s1 | PDB
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FORMA Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human MV411 cells assessed as reduction in MYC mRNA expression |
ACS Med Chem Lett 8: 847-852 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00191
BindingDB Entry DOI: 10.7270/Q2WQ06DS |
More data for this
Ligand-Target Pair | |
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