Found 36 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Presenilin-1
(Homo sapiens (Human)) | BDBM50150477
(CHEMBL3769686)Show SMILES Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccc(F)cc4)sc3CCc2c1 Show InChI InChI=1S/C22H19FN4S/c1-14-12-27(13-24-14)18-7-8-19-16(11-18)4-9-20-22(25-19)26-21(28-20)10-15-2-5-17(23)6-3-15/h2-3,5-8,11-13,25H,4,9-10H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150519
(CHEMBL3769487)Show SMILES CNc1nc(Cc2ccccc2)nc(Nc2ccc(c(OC)c2)-n2cnc(C)c2)n1 Show InChI InChI=1S/C22H23N7O/c1-15-13-29(14-24-15)18-10-9-17(12-19(18)30-3)25-22-27-20(26-21(23-2)28-22)11-16-7-5-4-6-8-16/h4-10,12-14H,11H2,1-3H3,(H2,23,25,26,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells transfected with APP751 SWE clone 8.20 mutant assessed as inhibition of amyloid beta (1 to 42) produc... |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150515
(CHEMBL3771295)Show SMILES Cc1cn(cn1)-c1cc2NC(=O)c3ccc(Cc4ccccc4)nc3Nc2cc1F Show InChI InChI=1S/C23H18FN5O/c1-14-12-29(13-25-14)21-11-20-19(10-18(21)24)27-22-17(23(30)28-20)8-7-16(26-22)9-15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3,(H,26,27)(H,28,30) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
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)) | BDBM50150473
(CHEMBL3769671)Show InChI InChI=1S/C22H20N4S/c1-15-13-26(14-23-15)18-8-9-19-17(12-18)7-10-20-22(24-19)25-21(27-20)11-16-5-3-2-4-6-16/h2-6,8-9,12-14,24H,7,10-11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150507
(CHEMBL3771055)Show SMILES Clc1cn(cn1)-c1ccc2Nc3nn(Cc4ccccc4)cc3CCc2c1 Show InChI InChI=1S/C21H18ClN5/c22-20-13-26(14-23-20)18-8-9-19-16(10-18)6-7-17-12-27(25-21(17)24-19)11-15-4-2-1-3-5-15/h1-5,8-10,12-14H,6-7,11H2,(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150479
(CHEMBL3769539)Show SMILES Cc1cc(ccn1)-c1ccc2Nc3nc(Cc4ccccc4)sc3CCc2c1 Show InChI InChI=1S/C24H21N3S/c1-16-13-19(11-12-25-16)18-7-9-21-20(15-18)8-10-22-24(26-21)27-23(28-22)14-17-5-3-2-4-6-17/h2-7,9,11-13,15,26H,8,10,14H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150512
(CHEMBL3769926)Show SMILES Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1 Show InChI InChI=1S/C23H19N5O/c1-15-13-28(14-24-15)18-8-10-20-21(12-18)27-23(29)19-9-7-17(25-22(19)26-20)11-16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,25,26)(H,27,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150480
(CHEMBL3771303)Show SMILES Cc1cc(ccn1)-c1ccc2Nc3nc(Cc4ccc(F)cc4)sc3CCc2c1 Show InChI InChI=1S/C24H20FN3S/c1-15-12-18(10-11-26-15)17-4-8-21-19(14-17)5-9-22-24(27-21)28-23(29-22)13-16-2-6-20(25)7-3-16/h2-4,6-8,10-12,14,27H,5,9,13H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150516
(CHEMBL3770105)Show SMILES CC(c1ccccc1)c1ccc2c(Nc3ccc(cc3NC2=O)-n2cnc(C)c2)n1 Show InChI InChI=1S/C24H21N5O/c1-15-13-29(14-25-15)18-8-10-21-22(12-18)28-24(30)19-9-11-20(26-23(19)27-21)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,26,27)(H,28,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150481
(CHEMBL3771153)Show SMILES Cc1cc(ccn1)-c1ccc2Nc3nc(Cc4ccc(F)c(F)c4)sc3CCc2c1 Show InChI InChI=1S/C24H19F2N3S/c1-14-10-17(8-9-27-14)16-3-6-21-18(13-16)4-7-22-24(28-21)29-23(30-22)12-15-2-5-19(25)20(26)11-15/h2-3,5-6,8-11,13,28H,4,7,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150474
(CHEMBL3770756)Show InChI InChI=1S/C21H19N5S/c1-14-22-13-26(25-14)17-8-9-18-16(12-17)7-10-19-21(23-18)24-20(27-19)11-15-5-3-2-4-6-15/h2-6,8-9,12-13,23H,7,10-11H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150475
(CHEMBL3769916)Show SMILES Clc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)sc3CCc2c1 Show InChI InChI=1S/C21H17ClN4S/c22-19-12-26(13-23-19)16-7-8-17-15(11-16)6-9-18-21(24-17)25-20(27-18)10-14-4-2-1-3-5-14/h1-5,7-8,11-13,24H,6,9-10H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150512
(CHEMBL3769926)Show SMILES Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1 Show InChI InChI=1S/C23H19N5O/c1-15-13-28(14-24-15)18-8-10-20-21(12-18)27-23(29)19-9-7-17(25-22(19)26-20)11-16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3,(H,25,26)(H,27,29) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150503
(CHEMBL3770314)Show InChI InChI=1S/C21H20N6/c1-15-22-14-27(24-15)19-9-10-20-17(11-19)7-8-18-13-26(25-21(18)23-20)12-16-5-3-2-4-6-16/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,23,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150518
(CHEMBL3769431)Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cncn2)nc(n1)-c1ccccc1 Show InChI InChI=1S/C19H18N8O/c1-20-18-24-17(13-6-4-3-5-7-13)25-19(26-18)23-14-8-9-15(16(10-14)28-2)27-12-21-11-22-27/h3-12H,1-2H3,(H2,20,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells transfected with APP751 SWE clone 8.20 mutant assessed as inhibition of amyloid beta (1 to 42) produc... |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150513
(CHEMBL3770111)Show SMILES Clc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1 Show InChI InChI=1S/C22H16ClN5O/c23-20-12-28(13-24-20)16-7-9-18-19(11-16)27-22(29)17-8-6-15(25-21(17)26-18)10-14-4-2-1-3-5-14/h1-9,11-13H,10H2,(H,25,26)(H,27,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150517
(CHEMBL3770272)Show SMILES CC(c1ccccc1)c1ccc2c(Nc3ccc(cc3NC2=O)-n2cnc(Cl)c2)n1 Show InChI InChI=1S/C23H18ClN5O/c1-14(15-5-3-2-4-6-15)18-10-8-17-22(26-18)27-19-9-7-16(11-20(19)28-23(17)30)29-12-21(24)25-13-29/h2-14H,1H3,(H,26,27)(H,28,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150516
(CHEMBL3770105)Show SMILES CC(c1ccccc1)c1ccc2c(Nc3ccc(cc3NC2=O)-n2cnc(C)c2)n1 Show InChI InChI=1S/C24H21N5O/c1-15-13-29(14-25-15)18-8-10-21-22(12-18)28-24(30)19-9-11-20(26-23(19)27-21)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,26,27)(H,28,30) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150508
(CHEMBL3769445)Show SMILES COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-c3ccnc(C)c3)o2)cc1 Show InChI InChI=1S/C26H22N2O3/c1-16-13-19(11-12-27-16)18-5-9-22-20(15-18)6-10-23-25(26(22)29)28-24(31-23)14-17-3-7-21(30-2)8-4-17/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150511
(CHEMBL3770902)Show SMILES Cc1cn(cn1)-c1ccc2c(CCc3ccc(Cc4ccc(F)cc4)nc3C2=O)c1 Show InChI InChI=1S/C25H20FN3O/c1-16-14-29(15-27-16)22-10-11-23-19(13-22)5-4-18-6-9-21(28-24(18)25(23)30)12-17-2-7-20(26)8-3-17/h2-3,6-11,13-15H,4-5,12H2,1H3 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150508
(CHEMBL3769445)Show SMILES COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-c3ccnc(C)c3)o2)cc1 Show InChI InChI=1S/C26H22N2O3/c1-16-13-19(11-12-27-16)18-5-9-22-20(15-18)6-10-23-25(26(22)29)28-24(31-23)14-17-3-7-21(30-2)8-4-17/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150509
(CHEMBL3769523)Show SMILES COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-n3cnc(C)c3)n2C)cc1 Show InChI InChI=1S/C25H24N4O2/c1-16-14-29(15-26-16)19-7-10-21-18(13-19)6-11-22-24(25(21)30)27-23(28(22)2)12-17-4-8-20(31-3)9-5-17/h4-5,7-10,13-15H,6,11-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150510
(CHEMBL3769470)Show SMILES COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-c3ccnc(C)c3)n2C)cc1 Show InChI InChI=1S/C27H25N3O2/c1-17-14-20(12-13-28-17)19-6-10-23-21(16-19)7-11-24-26(27(23)31)29-25(30(24)2)15-18-4-8-22(32-3)9-5-18/h4-6,8-10,12-14,16H,7,11,15H2,1-3H3 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150507
(CHEMBL3771055)Show SMILES Clc1cn(cn1)-c1ccc2Nc3nn(Cc4ccccc4)cc3CCc2c1 Show InChI InChI=1S/C21H18ClN5/c22-20-13-26(14-23-20)18-8-9-19-16(10-18)6-7-17-12-27(25-21(17)24-19)11-15-4-2-1-3-5-15/h1-5,8-10,12-14H,6-7,11H2,(H,24,25) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150503
(CHEMBL3770314)Show InChI InChI=1S/C21H20N6/c1-15-22-14-27(24-15)19-9-10-20-17(11-19)7-8-18-13-26(25-21(18)23-20)12-16-5-3-2-4-6-16/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,23,25) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150510
(CHEMBL3769470)Show SMILES COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-c3ccnc(C)c3)n2C)cc1 Show InChI InChI=1S/C27H25N3O2/c1-17-14-20(12-13-28-17)19-6-10-23-21(16-19)7-11-24-26(27(23)31)29-25(30(24)2)15-18-4-8-22(32-3)9-5-18/h4-6,8-10,12-14,16H,7,11,15H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150514
(CHEMBL3771031)Show SMILES Cc1ncn(n1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1 Show InChI InChI=1S/C22H18N6O/c1-14-23-13-28(27-14)17-8-10-19-20(12-17)26-22(29)18-9-7-16(24-21(18)25-19)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,25)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150473
(CHEMBL3769671)Show InChI InChI=1S/C22H20N4S/c1-15-13-26(14-23-15)18-8-9-19-17(12-18)7-10-20-22(24-19)25-21(27-20)11-16-5-3-2-4-6-16/h2-6,8-9,12-14,24H,7,10-11H2,1H3 | 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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150515
(CHEMBL3771295)Show SMILES Cc1cn(cn1)-c1cc2NC(=O)c3ccc(Cc4ccccc4)nc3Nc2cc1F Show InChI InChI=1S/C23H18FN5O/c1-14-12-29(13-25-14)21-11-20-19(10-18(21)24)27-22-17(23(30)28-20)8-7-16(26-22)9-15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3,(H,26,27)(H,28,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150511
(CHEMBL3770902)Show SMILES Cc1cn(cn1)-c1ccc2c(CCc3ccc(Cc4ccc(F)cc4)nc3C2=O)c1 Show InChI InChI=1S/C25H20FN3O/c1-16-14-29(15-27-16)22-10-11-23-19(13-22)5-4-18-6-9-21(28-24(18)25(23)30)12-17-2-7-20(26)8-3-17/h2-3,6-11,13-15H,4-5,12H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150509
(CHEMBL3769523)Show SMILES COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-n3cnc(C)c3)n2C)cc1 Show InChI InChI=1S/C25H24N4O2/c1-16-14-29(15-26-16)19-7-10-21-18(13-19)6-11-22-24(25(21)30)27-23(28(22)2)12-17-4-8-20(31-3)9-5-17/h4-5,7-10,13-15H,6,11-12H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150476
(CHEMBL3771224)Show InChI InChI=1S/C19H15N3S/c20-12-14-6-8-16-15(10-14)7-9-17-19(21-16)22-18(23-17)11-13-4-2-1-3-5-13/h1-6,8,10,21H,7,9,11H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50150478
(CHEMBL3771297)Show SMILES Cc1cncn1-c1ccc2Nc3nc(Cc4ccc(F)cc4)sc3CCc2c1 Show InChI InChI=1S/C22H19FN4S/c1-14-12-24-13-27(14)18-7-8-19-16(11-18)4-9-20-22(25-19)26-21(28-20)10-15-2-5-17(23)6-3-15/h2-3,5-8,11-13,25H,4,9-10H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150514
(CHEMBL3771031)Show SMILES Cc1ncn(n1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1 Show InChI InChI=1S/C22H18N6O/c1-14-23-13-28(27-14)17-8-10-19-20(12-17)26-22(29)18-9-7-16(24-21(18)25-19)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,25)(H,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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150513
(CHEMBL3770111)Show SMILES Clc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1 Show InChI InChI=1S/C22H16ClN5O/c23-20-12-28(13-24-20)16-7-9-18-19(11-16)27-22(29)17-8-6-15(25-21(17)26-18)10-14-4-2-1-3-5-14/h1-9,11-13H,10H2,(H,25,26)(H,27,29) | 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 | >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50150517
(CHEMBL3770272)Show SMILES CC(c1ccccc1)c1ccc2c(Nc3ccc(cc3NC2=O)-n2cnc(Cl)c2)n1 Show InChI InChI=1S/C23H18ClN5O/c1-14(15-5-3-2-4-6-15)18-10-8-17-22(26-18)27-19-9-7-16(11-20(19)28-23(17)30)29-12-21(24)25-13-29/h2-14H,1H3,(H,26,27)(H,28,30) | 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 | >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 26: 1498-502 (2016)
Article DOI: 10.1016/j.bmcl.2015.06.020
BindingDB Entry DOI: 10.7270/Q2CZ3910 |
More data for this
Ligand-Target Pair | |
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