Found 414 hits with Last Name = 'sakaguchi' and Initial = 'g' 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 |
|---|
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264847
(CHEMBL4096902)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C#N)n1 Show InChI InChI=1S/C25H23N9OS2/c1-14-22(37-15(2)30-14)20-13-36-25(31-20)32-21-6-3-17(10-27-21)23(35)34-18-4-5-19(34)12-33(11-18)24-28-8-16(7-26)9-29-24/h3,6,8-10,13,18-19H,4-5,11-12H2,1-2H3,(H,27,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50256209
(CHEMBL4101768)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8O2S2/c1-13-21(40-14(2)32-13)19-12-39-24(33-19)34-20-4-3-15(5-29-20)22(37)36-17-8-35(9-18(36)11-38-10-17)23-30-6-16(7-31-23)25(26,27)28/h3-7,12,17-18H,8-11H2,1-2H3,(H,29,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264846
(CHEMBL4066531)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Br)cn2)n1 Show InChI InChI=1S/C24H23BrN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192809
(CHEMBL3941914)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192809
(CHEMBL3941914)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50256228
(CHEMBL4099293)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2CCN(CC2C(F)(F)F)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C24H20F6N8OS2/c1-12-19(41-13(2)34-12)16-11-40-22(35-16)36-18-4-3-14(7-31-18)20(39)38-6-5-37(10-17(38)24(28,29)30)21-32-8-15(9-33-21)23(25,26)27/h3-4,7-9,11,17H,5-6,10H2,1-2H3,(H,31,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192811
(CHEMBL3971502)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Cl)cn2)n1 Show InChI InChI=1S/C24H23ClN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192811
(CHEMBL3971502)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Cl)cn2)n1 Show InChI InChI=1S/C24H23ClN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264858
(CHEMBL4077638)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(F)cn2)n1 Show InChI InChI=1S/C24H23FN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192807
(CHEMBL3984947)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCC(F)(F)F)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50505569
(CHEMBL4557670)Show SMILES C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:4| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing human wild type amyloid precursor protein assessed as reduction in amyloidbeta40 production inc... |
J Med Chem 62: 9331-9337 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01140
BindingDB Entry DOI: 10.7270/Q2CJ8HRN |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264859
(CHEMBL4078117)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)S(C)(=O)=O)n1 Show InChI InChI=1S/C25H26N8O3S3/c1-14-22(38-15(2)29-14)20-13-37-25(30-20)31-21-7-4-16(8-26-21)23(34)33-17-5-6-18(33)12-32(11-17)24-27-9-19(10-28-24)39(3,35)36/h4,7-10,13,17-18H,5-6,11-12H2,1-3H3,(H,26,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192809
(CHEMBL3941914)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of hypotonicity-induced activation pretreated for 5 mi... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192809
(CHEMBL3941914)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of hypotonicity-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264845
(CHEMBL4095552)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncccn2)n1 Show InChI InChI=1S/C24H24N8OS2/c1-14-21(35-15(2)28-14)19-13-34-24(29-19)30-20-7-4-16(10-27-20)22(33)32-17-5-6-18(32)12-31(11-17)23-25-8-3-9-26-23/h3-4,7-10,13,17-18H,5-6,11-12H2,1-2H3,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192804
(CHEMBL3933401)Show SMILES COC(=O)N1CCN(C(C1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 Show InChI InChI=1S/C21H21F3N6O3S2/c1-11-17(35-12(2)26-11)14-10-34-19(27-14)28-16-5-4-13(8-25-16)18(31)30-7-6-29(20(32)33-3)9-15(30)21(22,23)24/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,25,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM204940
(I-25)Show SMILES C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C19H16F3N5O2/c1-19(16(22)15(7-20)29-18(24)27-19)12-6-11(3-4-13(12)21)26-17(28)14-5-2-10(8-23)9-25-14/h2-6,9,15-16H,7H2,1H3,(H2,24,27)(H,26,28)/t15-,16+,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b... |
J Med Chem 61: 5525-5546 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00011
BindingDB Entry DOI: 10.7270/Q2SB48DD |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50256212
(CHEMBL4060956)Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1)c1ncc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F3N8OS2/c1-13-11-34(22-29-9-17(10-30-22)24(25,26)27)6-7-35(13)21(36)16-4-5-19(28-8-16)33-23-32-18(12-37-23)20-14(2)31-15(3)38-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,28,32,33)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
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| Article
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| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50567456
(CHEMBL4865251)Show SMILES NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
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| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50501811
(CHEMBL4535964)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6| Show InChI InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264848
(CHEMBL4062935)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(CO)cn2)n1 Show InChI InChI=1S/C25H26N8O2S2/c1-14-22(37-15(2)29-14)20-13-36-25(30-20)31-21-6-3-17(9-26-21)23(35)33-18-4-5-19(33)11-32(10-18)24-27-7-16(12-34)8-28-24/h3,6-9,13,18-19,34H,4-5,10-12H2,1-2H3,(H,26,30,31) | PDB
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| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264857
(CHEMBL4090714)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2cnc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-22(39-14(2)32-13)18-12-38-24(33-18)34-20-6-3-15(7-30-20)23(37)36-16-4-5-17(36)11-35(10-16)21-9-29-19(8-31-21)25(26,27)28/h3,6-9,12,16-17H,4-5,10-11H2,1-2H3,(H,30,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of hypotonicity-induced activation pretreated for 5 mi... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50432632
(CHEMBL2347211)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6| Show InChI InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
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| CHEMBL
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PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) assessed as reduction in amyloid beta production by cell based assay |
J Med Chem 61: 5122-5137 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00002
BindingDB Entry DOI: 10.7270/Q27W6FSQ |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50567457
(CHEMBL4866376)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cn1 |r,c:6| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264856
(CHEMBL4084992)Show SMILES Cc1nn(C)cc1-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H24F3N9OS/c1-14-19(12-35(2)34-14)20-13-39-24(32-20)33-21-6-3-15(7-29-21)22(38)37-17-4-5-18(37)11-36(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12-13,17-18H,4-5,10-11H2,1-2H3,(H,29,32,33) | PDB
UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192820
(CHEMBL3950646)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(Cl)cn2)n1 Show InChI InChI=1S/C25H24ClN7OS2/c1-14-23(36-15(2)29-14)20-13-35-25(30-20)31-21-7-3-16(9-27-21)24(34)33-18-5-6-19(33)12-32(11-18)22-8-4-17(26)10-28-22/h3-4,7-10,13,18-19H,5-6,11-12H2,1-2H3,(H,27,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50256230
(CHEMBL4083772)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2CC3CCC(C2)N3c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)35-10-17-4-5-18(11-35)36(17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34) | PDB
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| PC cid
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PubMed
| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264855
(CHEMBL4091558)Show SMILES C[C@@H]1CN(CCN1c1ncc(cn1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C24H23F3N8OS2/c1-13-11-34(6-7-35(13)22-29-9-17(10-30-22)24(25,26)27)21(36)16-4-5-19(28-8-16)33-23-32-18(12-37-23)20-14(2)31-15(3)38-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,28,32,33)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192808
(CHEMBL3915150)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C22H24N6O2S2/c1-12-20(32-13(2)24-12)18-11-31-22(25-18)26-19-7-4-14(10-23-19)21(29)28-16-5-6-17(28)9-15(8-16)27-30-3/h4,7,10-11,16-17H,5-6,8-9H2,1-3H3,(H,23,25,26)/b27-15-/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50462004
(CHEMBL4226007)Show SMILES [H][C@@]1(OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)[C@@H](C)F |r,c:4| Show InChI InChI=1S/C19H19F4N5O3/c1-9(21)15-16(23)19(2,28-18(24)31-15)11-5-10(3-4-12(11)22)27-17(29)13-6-26-14(7-25-13)30-8-20/h3-7,9,15-16H,8H2,1-2H3,(H2,24,28)(H,27,29)/t9-,15-,16+,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b... |
J Med Chem 61: 5525-5546 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00011
BindingDB Entry DOI: 10.7270/Q2SB48DD |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192779
(CHEMBL3957347)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC[C@@H](O)C(F)(F)F)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C24H25F3N6O3S2/c1-12-21(38-13(2)29-12)18-11-37-23(30-18)31-20-6-3-14(9-28-20)22(35)33-16-4-5-17(33)8-15(7-16)32-36-10-19(34)24(25,26)27/h3,6,9,11,16-17,19,34H,4-5,7-8,10H2,1-2H3,(H,28,30,31)/b32-15-/t16-,17+,19+/m0/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM210091
(US9270353, 50)Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM210070
(US9270353, 17)Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 | PDB
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B.MOAD
antibodypedia
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50264844
(CHEMBL4069724)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(nn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-22(39-14(2)30-13)18-12-38-24(31-18)32-20-7-3-15(9-29-20)23(37)36-16-4-5-17(36)11-35(10-16)21-8-6-19(33-34-21)25(26,27)28/h3,6-9,12,16-17H,4-5,10-11H2,1-2H3,(H,29,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
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| Article
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of hypotonicity-induced activation pretreated for 5 mi... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50256210
(CHEMBL4080527)Show SMILES Cc1cc(-c2csc(Nc3ccc(cn3)C(=O)N3C4CCC3CN(C4)c3ncc(cn3)C(F)(F)F)n2)n(C)n1 Show InChI InChI=1S/C25H24F3N9OS/c1-14-7-20(35(2)34-14)19-13-39-24(32-19)33-21-6-3-15(8-29-21)22(38)37-17-4-5-18(37)12-36(11-17)23-30-9-16(10-31-23)25(26,27)28/h3,6-10,13,17-18H,4-5,11-12H2,1-2H3,(H,29,32,33) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50263440
(CHEMBL4083195)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C26H24F3N7OS2/c1-14-23(39-15(2)32-14)20-13-38-25(33-20)34-21-7-3-16(9-30-21)24(37)36-18-5-6-19(36)12-35(11-18)22-8-4-17(10-31-22)26(27,28)29/h3-4,7-10,13,18-19H,5-6,11-12H2,1-2H3,(H,30,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of hypotonicity-induced activation pretreated for 5 mi... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM204994
(I-27)Show SMILES C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)10-4-9(2-3-11(10)21)26-16(28)12-6-25-14(7-24-12)29-8-20/h2-4,6-7,13,15H,5,8H2,1H3,(H2,23,27)(H,26,28)/t13-,15+,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b... |
J Med Chem 61: 5525-5546 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00011
BindingDB Entry DOI: 10.7270/Q2SB48DD |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM116292
(US8637504, 59 | US9273053, 59 | US9650371, 59)Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50462005
(CHEMBL4227313)Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H](CF)[C@@H]1F |r,t:22| Show InChI InChI=1S/C18H18F3N5O3/c1-18(15(21)13(6-19)29-17(22)26-18)10-5-9(3-4-11(10)20)25-16(27)12-7-24-14(28-2)8-23-12/h3-5,7-8,13,15H,6H2,1-2H3,(H2,22,26)(H,25,27)/t13-,15+,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b... |
J Med Chem 61: 5525-5546 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00011
BindingDB Entry DOI: 10.7270/Q2SB48DD |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192817
(CHEMBL3924485)Show SMILES COC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 Show InChI InChI=1S/C22H24N6O3S2/c1-12-19(33-13(2)24-12)17-11-32-21(25-17)26-18-7-4-14(8-23-18)20(29)28-15-5-6-16(28)10-27(9-15)22(30)31-3/h4,7-8,11,15-16H,5-6,9-10H2,1-3H3,(H,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50462001
(CHEMBL4227054)Show SMILES C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C19H15ClF3N5O2/c1-19(16(23)14(6-21)30-18(25)28-19)11-5-10(2-3-13(11)22)27-17(29)15-12(20)4-9(7-24)8-26-15/h2-5,8,14,16H,6H2,1H3,(H2,25,28)(H,27,29)/t14-,16+,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b... |
J Med Chem 61: 5525-5546 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00011
BindingDB Entry DOI: 10.7270/Q2SB48DD |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50256211
(CHEMBL4077429)Show SMILES CC(O)c1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C26H25F3N8O2S2/c1-13-21(41-22(33-13)14(2)38)19-12-40-25(34-19)35-20-6-3-15(7-30-20)23(39)37-17-4-5-18(37)11-36(10-17)24-31-8-16(9-32-24)26(27,28)29/h3,6-9,12,14,17-18,38H,4-5,10-11H2,1-2H3,(H,30,34,35) | PDB
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| PC cid
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192781
(CHEMBL3985107)Show SMILES COC(=O)N1CC2CCCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 Show InChI InChI=1S/C23H26N6O3S2/c1-13-20(34-14(2)25-13)18-12-33-22(26-18)27-19-8-7-15(9-24-19)21(30)29-16-5-4-6-17(29)11-28(10-16)23(31)32-3/h7-9,12,16-17H,4-6,10-11H2,1-3H3,(H,24,26,27) | PDB
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PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
MMDB
Reactome pathway
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CHEMBL
MCE
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PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192827
(CHEMBL3985405)Show SMILES CCNC(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C24H28N6O3S2/c1-4-25-24(32)33-18-9-16-6-7-17(10-18)30(16)22(31)15-5-8-20(26-11-15)29-23-28-19(12-34-23)21-13(2)27-14(3)35-21/h5,8,11-12,16-18H,4,6-7,9-10H2,1-3H3,(H,25,32)(H,26,28,29)/t16-,17+,18+ | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50462002
(CHEMBL4226994)Show SMILES CC(F)(F)[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C19H18F5N5O3/c1-18(14(22)15(19(2,23)24)32-17(25)29-18)10-5-9(3-4-11(10)21)28-16(30)12-6-27-13(7-26-12)31-8-20/h3-7,14-15H,8H2,1-2H3,(H2,25,29)(H,28,30)/t14-,15-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b... |
J Med Chem 61: 5525-5546 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00011
BindingDB Entry DOI: 10.7270/Q2SB48DD |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50256229
(CHEMBL4063752)Show SMILES C[C@H]1CN(CCN1c1ncc(cn1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C24H23F3N8OS2/c1-13-11-34(6-7-35(13)22-29-9-17(10-30-22)24(25,26)27)21(36)16-4-5-19(28-8-16)33-23-32-18(12-37-23)20-14(2)31-15(3)38-20/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,28,32,33)/t13-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ... |
Bioorg Med Chem 25: 2177-2190 (2017)
Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50462007
(CHEMBL4225154)Show SMILES [H][C@@]1(OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)[C@H](C)F |r,c:4| Show InChI InChI=1S/C19H19F4N5O3/c1-9(21)15-16(23)19(2,28-18(24)31-15)11-5-10(3-4-12(11)22)27-17(29)13-6-26-14(7-25-13)30-8-20/h3-7,9,15-16H,8H2,1-2H3,(H2,24,28)(H,27,29)/t9-,15+,16-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b... |
J Med Chem 61: 5525-5546 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00011
BindingDB Entry DOI: 10.7270/Q2SB48DD |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192826
(CHEMBL3979114)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(CC(F)(F)F)C3)n1 Show InChI InChI=1S/C22H23F3N6OS2/c1-12-19(34-13(2)27-12)17-10-33-21(28-17)29-18-6-3-14(7-26-18)20(32)31-15-4-5-16(31)9-30(8-15)11-22(23,24)25/h3,6-7,10,15-16H,4-5,8-9,11H2,1-2H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
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Similars
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PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50192809
(CHEMBL3941914)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 assessed as inhibition of hypotonicity-induced activation |
Bioorg Med Chem Lett 26: 4936-4941 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06 |
More data for this
Ligand-Target Pair | |
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