Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50020286 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 |
|---|
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212194
(CHEMBL250295 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)N(c1ccccc1)S(C)(=O)=O)c1ccccc1)c2 Show InChI InChI=1S/C34H35N3O5S/c1-34(35)22-25-11-9-10-24(18-25)16-17-31(27-12-5-3-6-13-27)36-32(38)28-19-26(23-42-33(34)39)20-30(21-28)37(43(2,40)41)29-14-7-4-8-15-29/h3-15,18-21,31H,16-17,22-23,35H2,1-2H3,(H,36,38)/t31-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212180
(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212174
(CHEMBL400438 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C29H33N3O5S/c1-29(30)18-21-9-7-8-20(14-21)12-13-26(23-10-5-4-6-11-23)31-27(33)24-15-22(19-37-28(29)34)16-25(17-24)32(2)38(3,35)36/h4-11,14-17,26H,12-13,18-19,30H2,1-3H3,(H,31,33)/t26-,29-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212196
((5R,14R)-5-amino-19-[(dimethylsulfamoyl)(methyl)am...)Show SMILES CN(C)S(=O)(=O)N(C)c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3 Show InChI InChI=1S/C30H36N4O5S/c1-30(31)19-22-10-8-9-21(15-22)13-14-27(24-11-6-5-7-12-24)32-28(35)25-16-23(20-39-29(30)36)17-26(18-25)34(4)40(37,38)33(2)3/h5-12,15-18,27H,13-14,19-20,31H2,1-4H3,(H,32,35)/t27-,30-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212180
(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cells |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212197
(CHEMBL429666 | N-[(5R,14R)-5-amino-14-(4-fluoro-ph...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccc(F)cc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H38FN3O4S/c1-4-14-35(40(3,37)38)28-17-24-16-26(18-28)30(36)34-29(25-9-11-27(32)12-10-25)13-8-22-6-5-7-23(15-22)19-31(2,33)21-39-20-24/h5-7,9-12,15-18,29H,4,8,13-14,19-21,33H2,1-3H3,(H,34,36)/t29-,31-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212193
(CHEMBL248884 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)Show SMILES C[C@]1(N)COCc2cc(cc(c2)C(=O)N[C@H](CCc2cccc(C1)c2)c1ccccc1)N(c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C34H37N3O4S/c1-34(35)22-26-11-9-10-25(18-26)16-17-32(28-12-5-3-6-13-28)36-33(38)29-19-27(23-41-24-34)20-31(21-29)37(42(2,39)40)30-14-7-4-8-15-30/h3-15,18-21,32H,16-17,22-24,35H2,1-2H3,(H,36,38)/t32-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212183
(2,2,2-trifluoro-ethanesulfonic acid ((5R,14R)-5-am...)Show SMILES CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)CC(F)(F)F Show InChI InChI=1S/C30H32F3N3O5S/c1-29(34)17-21-8-6-7-20(13-21)11-12-26(23-9-4-3-5-10-23)35-27(37)24-14-22(18-41-28(29)38)15-25(16-24)36(2)42(39,40)19-30(31,32)33/h3-10,13-16,26H,11-12,17-19,34H2,1-2H3,(H,35,37)/t26-,29-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212178
(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H39N3O4S/c1-4-15-34(39(3,36)37)28-18-25-17-27(19-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(16-23)20-31(2,32)22-38-21-25/h5-12,16-19,29H,4,13-15,20-22,32H2,1-3H3,(H,33,35)/t29-,31-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212192
(2-[(5R,14R)-5-amino-14-(4-fluoro-phenyl)-5-methyl-...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2 Show InChI InChI=1S/C34H29F2N3O3/c1-34(38)18-22-5-2-4-21(14-22)8-13-31(24-9-11-27(35)12-10-24)39-32(40)26-16-23(20-42-33(34)41)15-25(17-26)28-6-3-7-30(36)29(28)19-37/h2-7,9-12,14-17,31H,8,13,18,20,38H2,1H3,(H,39,40)/t31-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212178
(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H39N3O4S/c1-4-15-34(39(3,36)37)28-18-25-17-27(19-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(16-23)20-31(2,32)22-38-21-25/h5-12,16-19,29H,4,13-15,20-22,32H2,1-3H3,(H,33,35)/t29-,31-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cells |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212189
(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 Show InChI InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212195
(CHEMBL250918 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C29H30F3N3O5S/c1-28(33)17-20-8-6-7-19(13-20)11-12-25(22-9-4-3-5-10-22)34-26(36)23-14-21(18-40-27(28)37)15-24(16-23)35(2)41(38,39)29(30,31)32/h3-10,13-16,25H,11-12,17-18,33H2,1-2H3,(H,34,36)/t25-,28-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212190
(2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluoro-phenyl)...)Show SMILES C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2 Show InChI InChI=1S/C34H29F2N3O3/c1-34(38)18-21-6-12-30(36)24(14-21)9-13-31(23-7-10-28(35)11-8-23)39-32(40)27-16-22(20-42-33(34)41)15-26(17-27)29-5-3-2-4-25(29)19-37/h2-8,10-12,14-17,31H,9,13,18,20,38H2,1H3,(H,39,40)/t31-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212175
(2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluoro-phenyl)...)Show SMILES C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2 Show InChI InChI=1S/C34H28F3N3O3/c1-34(39)17-20-5-11-29(36)23(13-20)8-12-31(22-6-9-26(35)10-7-22)40-32(41)25-15-21(19-43-33(34)42)14-24(16-25)27-3-2-4-30(37)28(27)18-38/h2-7,9-11,13-16,31H,8,12,17,19,39H2,1H3,(H,40,41)/t31-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212186
(CHEMBL250120 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)Show SMILES CN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C29H35N3O4S/c1-29(30)18-22-9-7-8-21(14-22)12-13-27(24-10-5-4-6-11-24)31-28(33)25-15-23(19-36-20-29)16-26(17-25)32(2)37(3,34)35/h4-11,14-17,27H,12-13,18-20,30H2,1-3H3,(H,31,33)/t27-,29-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212185
(CHEMBL248876 | N-((5R,14R)-5-amino-14-ethynyl-5-me...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C#C)c3)S(C)(=O)=O Show InChI InChI=1S/C27H35N3O4S/c1-5-12-30(35(4,32)33)25-15-22-14-23(16-25)26(31)29-24(6-2)11-10-20-8-7-9-21(13-20)17-27(3,28)19-34-18-22/h2,7-9,13-16,24H,5,10-12,17-19,28H2,1,3-4H3,(H,29,31)/t24-,27+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212188
(CHEMBL438691 | ethanesulfonic acid ((5R,14R)-5-ami...)Show SMILES CCS(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3 Show InChI InChI=1S/C30H37N3O4S/c1-4-38(35,36)33(3)27-17-24-16-26(18-27)29(34)32-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(15-22)19-30(2,31)21-37-20-24/h5-12,15-18,28H,4,13-14,19-21,31H2,1-3H3,(H,32,34)/t28-,30-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212189
(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 Show InChI InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cells |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212198
(2-[(5R,14R)-5-amino-22-fluoro-14-(4-fluoro-phenyl)...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2F Show InChI InChI=1S/C34H29F2N3O3/c1-34(38)18-24-7-4-6-23(31(24)36)11-14-30(22-9-12-28(35)13-10-22)39-32(40)27-16-21(20-42-33(34)41)15-26(17-27)29-8-3-2-5-25(29)19-37/h2-10,12-13,15-17,30H,11,14,18,20,38H2,1H3,(H,39,40)/t30-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212187
(CHEMBL399276 | N-((5R,14S)-5-amino-14-ethyl-5-meth...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](CC)NC(=O)c(c2)c1)c3)S(C)(=O)=O Show InChI InChI=1S/C27H39N3O4S/c1-5-12-30(35(4,32)33)25-15-22-14-23(16-25)26(31)29-24(6-2)11-10-20-8-7-9-21(13-20)17-27(3,28)19-34-18-22/h7-9,13-16,24H,5-6,10-12,17-19,28H2,1-4H3,(H,29,31)/t24-,27+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212182
(2-[(5R,14R)-5-amino-9-fluoro-14-(4-fluoro-phenyl)-...)Show SMILES C[C@@]1(N)Cc2cc(F)cc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2 Show InChI InChI=1S/C34H29F2N3O3/c1-34(38)18-22-12-21(15-29(36)16-22)6-11-31(24-7-9-28(35)10-8-24)39-32(40)27-14-23(20-42-33(34)41)13-26(17-27)30-5-3-2-4-25(30)19-37/h2-5,7-10,12-17,31H,6,11,18,20,38H2,1H3,(H,39,40)/t31-,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212191
(CHEMBL250712 | N-((5R,14R)-5-amino-14-isopropyl-5-...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C(C)C)c3)S(C)(=O)=O Show InChI InChI=1S/C28H41N3O4S/c1-6-12-31(36(5,33)34)25-15-23-14-24(16-25)27(32)30-26(20(2)3)11-10-21-8-7-9-22(13-21)17-28(4,29)19-35-18-23/h7-9,13-16,20,26H,6,10-12,17-19,29H2,1-5H3,(H,30,32)/t26-,28-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212184
(CHEMBL251533 | propane-2-sulfonic acid ((5R,14R)-5...)Show SMILES CC(C)S(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3 Show InChI InChI=1S/C31H39N3O4S/c1-22(2)39(36,37)34(4)28-17-25-16-27(18-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(15-23)19-31(3,32)21-38-20-25/h5-12,15-18,22,29H,13-14,19-21,32H2,1-4H3,(H,33,35)/t29-,31-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212179
((5R,14R)-5-amino-19-bromo-5-methyl-14-phenyl-3-oxa...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(Br)cc(COC1=O)c3)c1ccccc1)c2 Show InChI InChI=1S/C27H27BrN2O3/c1-27(29)16-19-7-5-6-18(12-19)10-11-24(21-8-3-2-4-9-21)30-25(31)22-13-20(14-23(28)15-22)17-33-26(27)32/h2-9,12-15,24H,10-11,16-17,29H2,1H3,(H,30,31)/t24-,27-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212176
(CHEMBL399776 | N-((5R,14S)-5-amino-5,14-dimethyl-1...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](C)NC(=O)c(c2)c1)c3)S(C)(=O)=O Show InChI InChI=1S/C26H37N3O4S/c1-5-11-29(34(4,31)32)24-14-22-13-23(15-24)25(30)28-19(2)9-10-20-7-6-8-21(12-20)16-26(3,27)18-33-17-22/h6-8,12-15,19H,5,9-11,16-18,27H2,1-4H3,(H,28,30)/t19-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212177
((5R,14R)-5-amino-5-methyl-19-oxazol-2-yl-14-phenyl...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ncco1)c1ccccc1)c2 Show InChI InChI=1S/C30H29N3O4/c1-30(31)18-21-7-5-6-20(14-21)10-11-26(23-8-3-2-4-9-23)33-27(34)24-15-22(19-37-29(30)35)16-25(17-24)28-32-12-13-36-28/h2-9,12-17,26H,10-11,18-19,31H2,1H3,(H,33,34)/t26-,30-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50212181
(CHEMBL398839 | N-((5R,14R)-5-amino-14-cyclopropyl-...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C1CC1)c3)S(C)(=O)=O Show InChI InChI=1S/C28H39N3O4S/c1-4-12-31(36(3,33)34)25-15-22-14-24(16-25)27(32)30-26(23-9-10-23)11-8-20-6-5-7-21(13-20)17-28(2,29)19-35-18-22/h5-7,13-16,23,26H,4,8-12,17-19,29H2,1-3H3,(H,30,32)/t26-,28-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50212178
(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H39N3O4S/c1-4-15-34(39(3,36)37)28-18-25-17-27(19-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(16-23)20-31(2,32)22-38-21-25/h5-12,16-19,29H,4,13-15,20-22,32H2,1-3H3,(H,33,35)/t29-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50212189
(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 Show InChI InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50212189
(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 Show InChI InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50212180
(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50212180
(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50212178
(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H39N3O4S/c1-4-15-34(39(3,36)37)28-18-25-17-27(19-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(16-23)20-31(2,32)22-38-21-25/h5-12,16-19,29H,4,13-15,20-22,32H2,1-3H3,(H,33,35)/t29-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50212180
(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.69E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50212189
(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2 Show InChI InChI=1S/C34H31N3O3/c1-34(36)20-24-9-7-8-23(16-24)14-15-31(26-10-3-2-4-11-26)37-32(38)29-18-25(22-40-33(34)39)17-28(19-29)30-13-6-5-12-27(30)21-35/h2-13,16-19,31H,14-15,20,22,36H2,1H3,(H,37,38)/t31-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50212178
(CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo...)Show SMILES CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H39N3O4S/c1-4-15-34(39(3,36)37)28-18-25-17-27(19-28)30(35)33-29(26-11-6-5-7-12-26)14-13-23-9-8-10-24(16-23)20-31(2,32)22-38-21-25/h5-12,16-19,29H,4,13-15,20-22,32H2,1-3H3,(H,33,35)/t29-,31-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D |
Bioorg Med Chem Lett 17: 4057-61 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.072
BindingDB Entry DOI: 10.7270/Q2Q81CS4 |
More data for this
Ligand-Target Pair | |
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