Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50047833 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)) | 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)) | 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)) | 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 | |
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)) | 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 | |
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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | 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
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 |
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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 | |
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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
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 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
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
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 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 | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192803
(CHEMBL3906685)Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C22H25N5O2S2/c1-12-20(31-13(2)24-12)18-11-30-22(25-18)26-19-7-4-14(10-23-19)21(28)27-15-5-6-16(27)9-17(8-15)29-3/h4,7,10-11,15-17H,5-6,8-9H2,1-3H3,(H,23,25,26)/t15-,16+,17+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | 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)) | BDBM50192819
(CHEMBL3908777)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)C2CCCCC2)n1 Show InChI InChI=1S/C26H32N6OS2/c1-16-24(35-17(2)28-16)22-15-34-26(29-22)30-23-11-8-18(12-27-23)25(33)32-20-9-10-21(32)14-31(13-20)19-6-4-3-5-7-19/h8,11-12,15,19-21H,3-7,9-10,13-14H2,1-2H3,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80 | 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 4
(Homo sapiens (Human)) | BDBM50192822
(CHEMBL3897222)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCCCO)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C24H28N6O3S2/c1-14-22(35-15(2)26-14)20-13-34-24(27-20)28-21-7-4-16(12-25-21)23(32)30-18-5-6-19(30)11-17(10-18)29-33-9-3-8-31/h4,7,12-13,18-19,31H,3,5-6,8-11H2,1-2H3,(H,25,27,28)/b29-17-/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | 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 | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192778
(CHEMBL3942384)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CNCC2COC3)n1 Show InChI InChI=1S/C20H22N6O2S2/c1-11-18(30-12(2)23-11)16-10-29-20(24-16)25-17-4-3-13(5-22-17)19(27)26-14-6-21-7-15(26)9-28-8-14/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20 | 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)) | BDBM50192776
(CHEMBL3979627)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C26H25ClN6OS2/c1-15-24(36-16(2)29-15)22-14-35-26(30-22)31-23-10-3-17(11-28-23)25(34)33-20-8-9-21(33)13-32(12-20)19-6-4-18(27)5-7-19/h3-7,10-11,14,20-21H,8-9,12-13H2,1-2H3,(H,28,30,31) | PDB
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| n/a | n/a | 3.20 | 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)) | BDBM50192816
(CHEMBL3968344)Show SMILES [H][C@]12CC[C@]([H])(CC(C1)=NOCC(C)(C)O)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C25H30N6O3S2/c1-14-22(36-15(2)27-14)20-12-35-24(28-20)29-21-8-5-16(11-26-21)23(32)31-18-6-7-19(31)10-17(9-18)30-34-13-25(3,4)33/h5,8,11-12,18-19,33H,6-7,9-10,13H2,1-4H3,(H,26,28,29)/t18-,19+ | PDB
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| n/a | n/a | 4.40 | 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)) | BDBM50192828
(CHEMBL3914089)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC1CCN(C)CC1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C27H33N7O2S2/c1-16-25(38-17(2)29-16)23-15-37-27(30-23)31-24-7-4-18(14-28-24)26(35)34-20-5-6-21(34)13-19(12-20)32-36-22-8-10-33(3)11-9-22/h4,7,14-15,20-22H,5-6,8-13H2,1-3H3,(H,28,30,31)/b32-19-/t20-,21+/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 4.5 | 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)) | BDBM50192824
(CHEMBL3924665)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2ncc(cn2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C26H24F3N7O2S2/c1-13-22(40-14(2)33-13)20-12-39-25(34-20)35-21-6-3-15(9-30-21)23(37)36-17-4-5-18(36)8-19(7-17)38-24-31-10-16(11-32-24)26(27,28)29/h3,6,9-12,17-19H,4-5,7-8H2,1-2H3,(H,30,34,35)/t17-,18+,19+ | PDB
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PubMed
| n/a | n/a | 4.80 | 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 4
(Homo sapiens (Human)) | BDBM50192774
(CHEMBL3986034)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCCO)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C23H26N6O3S2/c1-13-21(34-14(2)25-13)19-12-33-23(26-19)27-20-6-3-15(11-24-20)22(31)29-17-4-5-18(29)10-16(9-17)28-32-8-7-30/h3,6,11-12,17-18,30H,4-5,7-10H2,1-2H3,(H,24,26,27)/b28-16-/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 6 | 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)) | BDBM50192813
(CHEMBL3896628)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OCCO)n1 |r| Show InChI InChI=1S/C23H27N5O3S2/c1-13-21(33-14(2)25-13)19-12-32-23(26-19)27-20-6-3-15(11-24-20)22(30)28-16-4-5-17(28)10-18(9-16)31-8-7-29/h3,6,11-12,16-18,29H,4-5,7-10H2,1-2H3,(H,24,26,27)/t16-,17+,18+ | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 6.20 | 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)) | BDBM50192777
(CHEMBL3915675)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)NCCF)n1 |r| Show InChI InChI=1S/C24H27FN6O3S2/c1-13-21(36-14(2)28-13)19-12-35-23(29-19)30-20-6-3-15(11-27-20)22(32)31-16-4-5-17(31)10-18(9-16)34-24(33)26-8-7-25/h3,6,11-12,16-18H,4-5,7-10H2,1-2H3,(H,26,33)(H,27,29,30)/t16-,17+,18+ | PDB
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PubMed
| n/a | n/a | 6.70 | 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 | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192825
(CHEMBL3976867)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/O)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C21H22N6O2S2/c1-11-19(31-12(2)23-11)17-10-30-21(24-17)25-18-6-3-13(9-22-18)20(28)27-15-4-5-16(27)8-14(7-15)26-29/h3,6,9-10,15-16,29H,4-5,7-8H2,1-2H3,(H,22,24,25)/b26-14-/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 8.40 | 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 | 8.60 | 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 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) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | 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 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) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 16 | 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 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) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | 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 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)) | BDBM50192815
(CHEMBL3906180)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)CC(F)(F)F)n1 |r| Show InChI InChI=1S/C24H25F3N6O2S2/c1-12-21(37-13(2)29-12)18-11-36-23(31-18)32-19-6-3-14(10-28-19)22(35)33-16-4-5-17(33)8-15(7-16)30-20(34)9-24(25,26)27/h3,6,10-11,15-17H,4-5,7-9H2,1-2H3,(H,30,34)(H,28,31,32)/t15-,16+,17- | PDB
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PubMed
| n/a | n/a | 19 | 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)) | BDBM50192823
(CHEMBL3906074)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CC(=O)C3)n1 Show InChI InChI=1S/C21H21N5O3S2/c1-11-19(31-12(2)23-11)17-10-30-21(24-17)25-18-4-3-13(7-22-18)20(28)26-14-5-16(27)6-15(26)9-29-8-14/h3-4,7,10,14-15H,5-6,8-9H2,1-2H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | 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) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at rat 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)) | BDBM50192802
(CHEMBL3927993)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CC(=O)C3)n1 Show InChI InChI=1S/C21H21N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-15H,4-5,7-8H2,1-2H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | 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)) | BDBM50192810
(CHEMBL3942090)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCC(N)=O)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C23H25N7O3S2/c1-12-21(35-13(2)26-12)18-11-34-23(27-18)28-20-6-3-14(9-25-20)22(32)30-16-4-5-17(30)8-15(7-16)29-33-10-19(24)31/h3,6,9,11,16-17H,4-5,7-8,10H2,1-2H3,(H2,24,31)(H,25,27,28)/b29-15-/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | 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) | 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
MMDB
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UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 29 | 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 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)) | BDBM50192775
(CHEMBL3915493)Show SMILES CC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 Show InChI InChI=1S/C22H24N6O2S2/c1-12-20(32-13(2)24-12)18-11-31-22(25-18)26-19-7-4-15(8-23-19)21(30)28-16-5-6-17(28)10-27(9-16)14(3)29/h4,7-8,11,16-17H,5-6,9-10H2,1-3H3,(H,23,25,26) | PDB
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| n/a | n/a | 32 | 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)) | BDBM50192772
(CHEMBL3967702)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)n1 |r| Show InChI InChI=1S/C21H23N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-16,27H,4-5,7-8H2,1-2H3,(H,22,24,25)/t14-,15+,16+ | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 32 | 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)) | BDBM50192806
(CHEMBL3960867)Show SMILES COC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 Show InChI InChI=1S/C20H22N6O3S2/c1-12-17(31-13(2)22-12)15-11-30-19(23-15)24-16-5-4-14(10-21-16)18(27)25-6-8-26(9-7-25)20(28)29-3/h4-5,10-11H,6-9H2,1-3H3,(H,21,23,24) | PDB
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| n/a | n/a | 37 | 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)) | BDBM50192780
(CHEMBL3977334)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@H](CO)C3)n1 |r| Show InChI InChI=1S/C22H25N5O2S2/c1-12-20(31-13(2)24-12)18-11-30-22(25-18)26-19-6-3-15(9-23-19)21(29)27-16-4-5-17(27)8-14(7-16)10-28/h3,6,9,11,14,16-17,28H,4-5,7-8,10H2,1-2H3,(H,23,25,26)/t14-,16+,17- | PDB
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| n/a | n/a | 41 | 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) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at rat 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) | BDBM50192822
(CHEMBL3897222)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCCCO)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C24H28N6O3S2/c1-14-22(35-15(2)26-14)20-13-34-24(27-20)28-21-7-4-16(12-25-21)23(32)30-18-5-6-19(30)11-17(10-18)29-33-9-3-8-31/h4,7,12-13,18-19,31H,3,5-6,8-11H2,1-2H3,(H,25,27,28)/b29-17-/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | 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 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)) | BDBM50192821
(CHEMBL2133556)Show SMILES Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | PDB
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CHEMBL
MCE
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PDB
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| PDB
Article
PubMed
| n/a | n/a | 57 | 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 | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50192828
(CHEMBL3914089)Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC1CCN(C)CC1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C27H33N7O2S2/c1-16-25(38-17(2)29-16)23-15-37-27(30-23)31-24-7-4-18(14-28-24)26(35)34-20-5-6-21(34)13-19(12-20)32-36-22-8-10-33(3)11-9-22/h4,7,14-15,20-22H,5-6,8-13H2,1-3H3,(H,28,30,31)/b32-19-/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 57 | 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 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)) | BDBM50192814
(CHEMBL3933578)Show SMILES CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r| Show InChI InChI=1S/C23H26N6O2S2/c1-12-21(33-14(3)25-12)19-11-32-23(27-19)28-20-7-4-15(10-24-20)22(31)29-17-5-6-18(29)9-16(8-17)26-13(2)30/h4,7,10-11,16-18H,5-6,8-9H2,1-3H3,(H,26,30)(H,24,27,28)/t16-,17+,18- | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 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 4
(Rattus norvegicus) | BDBM50192778
(CHEMBL3942384)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CNCC2COC3)n1 Show InChI InChI=1S/C20H22N6O2S2/c1-11-18(30-12(2)23-11)16-10-29-20(24-16)25-17-4-3-13(5-22-17)19(27)26-14-6-21-7-15(26)9-28-8-14/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,22,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 100 | 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 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) | BDBM50192824
(CHEMBL3924665)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2ncc(cn2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C26H24F3N7O2S2/c1-13-22(40-14(2)33-13)20-12-39-25(34-20)35-21-6-3-15(9-30-21)23(37)36-17-4-5-18(36)8-19(7-17)38-24-31-10-16(11-32-24)26(27,28)29/h3,6,9-12,17-19H,4-5,7-8H2,1-2H3,(H,30,34,35)/t17-,18+,19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | 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 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) | BDBM50192813
(CHEMBL3896628)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OCCO)n1 |r| Show InChI InChI=1S/C23H27N5O3S2/c1-13-21(33-14(2)25-13)19-12-32-23(26-19)27-20-6-3-15(11-24-20)22(30)28-16-4-5-17(28)10-18(9-16)31-8-7-29/h3,6,11-12,16-18,29H,4-5,7-10H2,1-2H3,(H,24,26,27)/t16-,17+,18+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at rat 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) | BDBM50192777
(CHEMBL3915675)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)NCCF)n1 |r| Show InChI InChI=1S/C24H27FN6O3S2/c1-13-21(36-14(2)28-13)19-12-35-23(29-19)30-20-6-3-15(11-27-20)22(32)31-16-4-5-17(31)10-18(9-16)34-24(33)26-8-7-25/h3,6,11-12,16-18H,4-5,7-10H2,1-2H3,(H,26,33)(H,27,29,30)/t16-,17+,18+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 290 | 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 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) | BDBM50192802
(CHEMBL3927993)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CC(=O)C3)n1 Show InChI InChI=1S/C21H21N5O2S2/c1-11-19(30-12(2)23-11)17-10-29-21(24-17)25-18-6-3-13(9-22-18)20(28)26-14-4-5-15(26)8-16(27)7-14/h3,6,9-10,14-15H,4-5,7-8H2,1-2H3,(H,22,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | 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 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) | BDBM50192776
(CHEMBL3979627)Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C26H25ClN6OS2/c1-15-24(36-16(2)29-15)22-14-35-26(30-22)31-23-10-3-17(11-28-23)25(34)33-20-8-9-21(33)13-32(12-20)19-6-4-18(27)5-7-19/h3-7,10-11,14,20-21H,8-9,12-13H2,1-2H3,(H,28,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 410 | 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 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 | |
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